data_2mx9_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 2mx9 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 8' ' ' ILE . . . . . 0.68 ' HB ' HG22 ' A' ' 105' ' ' THR . 2.8 pp . . . . . 0 CA--C 1.529 0.152 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -77.38 18.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.543 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.3 p -70.9 -23.01 62.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.348 0.594 . . . . 0.0 109.725 172.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -125.78 115.87 24.54 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.37 172.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -65.8 -30.46 49.69 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.863 2.375 . . . . 0.0 112.373 -175.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -76.92 -33.4 57.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.753 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.88 -42.52 90.21 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 176.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.41 90.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.735 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.6 ttm -61.63 -27.66 68.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.201 0.524 . . . . 0.0 110.713 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 48.6 m -64.08 -36.39 83.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.197 177.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.793 ' SD ' ' HE2' ' A' ' 101' ' ' MET . 5.6 ttt -66.57 -41.02 89.21 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 176.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -41.24 85.82 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.253 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -69.21 -46.68 66.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.888 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -63.35 -35.51 80.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.421 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.624 HD22 HD13 ' A' ' 97' ' ' LEU . 29.8 mt -60.03 -48.61 81.0 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.603 0.24 . . . . 0.0 110.864 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.23 -41.7 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.681 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -64.48 -44.46 90.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.937 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 27.6 t -65.37 -38.95 91.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.01 0.433 . . . . 0.0 110.579 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.412 ' HB3' HD11 ' A' ' 32' ' ' LEU . . . -69.12 -38.77 79.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.057 0.456 . . . . 0.0 110.783 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.1 t -68.46 -37.6 80.33 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.912 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 25' ' ' CYS . 7.5 ptm180 -80.06 -19.53 47.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.933 -177.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.419 ' HB2' HG23 ' A' ' 31' ' ' VAL . 14.1 p -84.69 -46.28 11.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.966 0.413 . . . . 0.0 109.923 174.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.33 21.63 72.53 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.715 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.419 HG23 ' HB2' ' A' ' 29' ' ' SER . 14.1 t -79.74 -26.94 12.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.337 0.589 . . . . 0.0 110.179 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 26' ' ' ALA . 5.7 mp -90.64 152.68 20.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.794 -175.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.2 p -83.17 169.69 15.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.519 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.72 78.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.718 0.294 . . . . 0.0 111.042 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 1.033 ' HB3' HH22 ' B' ' 64' ' ' ARG . 2.9 m-20 -52.79 -60.72 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.716 175.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.785 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . 8.1 mt-30 -66.61 -36.91 83.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.962 -173.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.5 mmm -63.79 -45.2 90.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.296 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -71.34 -33.18 69.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.805 -176.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.518 ' O ' ' HG3' ' A' ' 42' ' ' MET . 69.0 m-20 -66.08 -40.78 91.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.959 0.409 . . . . 0.0 110.385 176.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.516 ' O ' ' HB3' ' A' ' 43' ' ' MET . 83.3 mtp -66.59 -34.88 78.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.075 0.464 . . . . 0.0 110.339 174.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.94 -44.85 97.25 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.058 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.518 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -74.99 -18.07 60.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.882 0.372 . . . . 0.0 110.241 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.516 ' HB3' ' O ' ' A' ' 40' ' ' MET . 43.1 ttp -63.41 -43.82 96.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.121 0.486 . . . . 0.0 109.729 172.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.48 97.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.3 175.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.78 -44.23 93.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.027 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.0 p -59.81 -48.77 80.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.041 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.8 t -61.28 -43.77 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.166 0.507 . . . . 0.0 110.174 176.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.449 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 23.0 t-20 -57.0 -51.3 69.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.456 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.6 p -77.51 -31.63 53.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.513 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.581 HE22 ' HB3' ' B' ' 46' ' ' SER . 3.9 tp-100 -62.85 -41.14 99.24 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 176.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.429 ' HE2' ' HB3' ' A' ' 51' ' ' MET . 1.4 ttp -59.14 -45.46 90.89 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.553 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 69.6 mt-30 -59.53 -37.59 78.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.088 0.471 . . . . 0.0 110.744 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -68.39 -24.71 64.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.711 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.545 ' CB ' ' HB3' ' A' ' 58' ' ' PRO . 70.9 mtm -105.33 -6.9 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.447 -175.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.62 178.66 35.22 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.561 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.41 -11.17 29.55 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.789 2.326 . . . . 0.0 112.433 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -146.01 78.23 11.6 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.999 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.545 ' HB3' ' CB ' ' A' ' 54' ' ' MET . 35.6 Cg_endo -64.72 167.14 16.07 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.192 2.594 . . . . 0.0 113.356 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.451 ' HG2' ' HD2' ' A' ' 62' ' ' ARG . 52.4 Cg_exo -51.64 131.56 37.83 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.991 2.461 . . . . 0.0 112.087 175.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -59.21 -39.49 82.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.351 -176.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.594 ' HB2' ' NH2' ' A' ' 64' ' ' ARG . 20.9 p80 -68.3 -26.6 65.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 0.0 111.005 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.461 ' O ' ' HG2' ' A' ' 66' ' ' MET . 77.1 mtt180 -73.09 -36.14 66.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.246 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.8 mt -63.33 -37.49 87.46 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 174.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.916 HH22 ' HB3' ' B' ' 35' ' ' ASP . 44.6 ttp180 -55.14 -47.39 75.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.754 174.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.413 ' HB2' ' HE2' ' B' ' 73' ' ' GLU . . . -68.27 -45.62 72.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.173 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.461 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 95.9 mmm -57.02 -30.19 63.99 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.76 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -51.61 -51.99 51.16 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.073 0.463 . . . . 0.0 111.03 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.9 m -75.69 -29.42 59.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.935 -175.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.576 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -61.51 -52.49 64.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.931 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.0 ttt -57.77 -44.69 86.35 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.981 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.26 92.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.185 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.36 95.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.361 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 6.9 mm-40 -62.12 -45.26 94.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.74 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.555 ' O ' HG23 ' A' ' 78' ' ' VAL . 54.5 t -63.87 -42.19 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.696 177.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.24 88.86 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.451 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.468 ' OE1' ' HA ' ' B' ' 65' ' ' ALA . 23.0 tt0 -64.22 -50.11 69.29 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.909 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.785 ' HB ' ' HB3' ' A' ' 36' ' ' GLN . 35.7 m -60.21 -38.72 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.867 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 74' ' ' VAL . 67.9 t -63.81 -40.54 89.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.099 0.476 . . . . 0.0 110.261 177.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.501 ' HB3' ' HB2' ' A' ' 124' ' ' SER . . . -78.89 -3.57 45.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.735 -176.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.414 HG21 ' O ' ' A' ' 80' ' ' THR . 24.2 m -102.19 5.61 40.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.705 0.764 . . . . 0.0 110.201 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.1 m -77.62 159.2 77.4 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.028 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -53.57 160.26 5.51 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.813 2.342 . . . . 0.0 111.339 173.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.58 -22.57 58.19 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.159 1.906 . . . . 0.0 112.17 -170.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -96.58 -23.56 16.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.272 0.558 . . . . 0.0 110.737 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.7 m -92.34 -16.99 25.3 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.884 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -54.57 -49.63 69.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.982 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.7 t -64.18 -34.59 78.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.549 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.83 -53.92 27.72 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.018 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.411 HG13 HG21 ' A' ' 78' ' ' VAL . 85.9 t -63.0 -40.72 90.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.767 -178.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -56.93 -52.16 66.28 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.413 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.84 -38.58 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.933 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 38.1 m -65.65 -51.79 56.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.616 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.452 HG21 HD12 ' A' ' 97' ' ' LEU . 1.1 mm -61.27 -43.31 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.1 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.4 -38.4 93.39 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.241 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.507 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -68.44 -49.2 61.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.725 0.298 . . . . 0.0 110.368 176.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 75.9 m -61.74 -32.63 72.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.495 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.624 HD13 HD22 ' A' ' 22' ' ' LEU . 1.1 mp -54.21 -54.31 41.71 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.938 0.399 . . . . 0.0 111.106 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.3 ttt-85 -59.11 -51.46 69.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.003 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 9.8 mm-40 -60.2 -44.66 94.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.783 -177.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.5 m -55.54 -46.38 77.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.196 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.793 ' HE2' ' SD ' ' A' ' 18' ' ' MET . 16.8 mmt -62.94 -44.75 95.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.1 ttm -65.32 -31.81 73.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.599 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -89.55 -11.98 41.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.824 0.345 . . . . 0.0 111.377 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.5 -58.1 2.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.848 0.356 . . . . 0.0 111.242 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.68 HG22 ' HB ' ' A' ' 8' ' ' ILE . 71.9 p -103.31 -25.58 13.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.28 -175.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 103.32 -7.77 51.78 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.744 -177.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.0 m -134.47 159.18 41.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.8 t -93.33 106.26 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.844 0.354 . . . . 0.0 110.673 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.5 ' HB3' ' HE1' ' A' ' 101' ' ' MET . 9.4 t70 -69.76 112.93 6.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.893 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -77.91 -30.97 50.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.02 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.87 75.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 -175.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.433 ' O ' HG21 ' A' ' 116' ' ' VAL . 50.8 t80 -72.76 -44.46 61.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.449 -178.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.516 ' HA ' HD21 ' A' ' 97' ' ' LEU . 49.3 m -63.9 -36.35 83.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 110.72 -176.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -73.09 -40.08 65.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.5 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -58.08 -45.36 87.3 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.77 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 112' ' ' PHE . 57.3 t -60.6 -38.63 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.411 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.56 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 25.7 mmt -68.93 -39.89 79.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.146 0.498 . . . . 0.0 110.219 -176.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -70.01 -41.56 74.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.367 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.508 HD23 ' HE2' ' B' ' 122' ' ' MET . 20.4 mt -59.12 -50.93 72.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.271 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.7 p -67.17 -36.14 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -172.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -68.0 -40.12 83.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.979 0.418 . . . . 0.0 110.576 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.428 ' HE1' ' HB3' ' A' ' 122' ' ' MET . 11.1 tmm? -74.07 -38.07 64.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.796 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -60.71 -29.31 69.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.756 -175.485 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.501 ' HB2' ' HB3' ' A' ' 79' ' ' ALA . 7.3 t . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 120.912 0.387 . . . . 0.0 110.764 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.528 HG12 ' HE3' ' B' ' 101' ' ' MET . 17.0 pt . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.881 0.372 . . . . 0.0 111.637 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -75.07 84.15 2.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.793 0.806 . . . . 0.0 111.261 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.2 t -154.67 -36.53 0.09 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.283 -1.326 . . . . 0.0 108.173 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -100.89 114.01 65.78 Favored Pre-proline 0 N--CA 1.452 -0.35 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 169.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' PRO . . . . . 0.481 ' HB2' ' SD ' ' B' ' 51' ' ' MET . 27.2 Cg_endo -67.88 -32.92 28.01 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.665 2.243 . . . . 0.0 112.384 -173.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -70.31 -41.8 72.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.992 0.425 . . . . 0.0 110.519 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.44 89.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.697 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.47 96.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.71 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.8 ttm -62.36 -28.26 69.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.891 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 32.2 m -61.35 -39.26 89.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.15 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.815 ' SD ' ' HE2' ' B' ' 101' ' ' MET . 6.6 ttt -64.75 -42.44 95.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.976 177.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -59.6 -45.28 92.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.63 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -65.54 -44.9 85.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.833 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -63.62 -32.27 73.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.529 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.29 -47.48 85.77 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 120.65 0.262 . . . . 0.0 110.886 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.51 -39.52 85.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.49 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.535 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 46.0 mt-30 -66.05 -41.0 91.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 30.3 t -64.95 -42.12 94.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.482 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.63 80.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.284 0.564 . . . . 0.0 111.031 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 37.6 t -70.85 -29.54 65.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.185 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 2.2 ptp180 -98.11 6.67 47.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.639 0.257 . . . . 0.0 111.677 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.419 ' HB2' HG23 ' B' ' 31' ' ' VAL . 18.4 p -104.9 -44.38 4.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.975 0.417 . . . . 0.0 110.071 173.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.94 15.42 81.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.854 175.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.419 HG23 ' HB2' ' B' ' 29' ' ' SER . 10.7 t -79.87 -24.45 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.466 0.65 . . . . 0.0 109.774 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.546 HD23 ' HB3' ' B' ' 36' ' ' GLN . 5.3 mp -90.2 166.76 13.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.841 -174.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 23.1 p -108.08 178.08 4.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.95 -41.46 74.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.591 0.234 . . . . 0.0 110.703 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.916 ' HB3' HH22 ' A' ' 64' ' ' ARG . 4.6 m-20 -47.08 -63.37 1.05 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.684 0.754 . . . . 0.0 110.211 172.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.546 ' HB3' HD23 ' B' ' 32' ' ' LEU . 51.2 mt-30 -63.25 -46.44 86.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.277 -1.329 . . . . 0.0 112.05 -173.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 85.0 mmm -65.03 -34.02 77.43 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -176.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.459 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 37.1 t70 -81.1 -35.59 31.44 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.856 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -66.39 -43.92 84.49 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.977 0.418 . . . . 0.0 110.125 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.562 ' HG3' HG23 ' B' ' 77' ' ' VAL . 88.2 mtp -66.76 -32.5 73.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.029 0.442 . . . . 0.0 110.223 174.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.18 -47.14 91.86 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.883 176.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.411 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 18.5 ptt? -74.15 -15.72 61.02 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.459 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' MET . . . . . 0.497 ' O ' HG21 ' B' ' 47' ' ' VAL . 51.3 ttp -64.83 -50.93 64.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.067 0.46 . . . . 0.0 110.056 173.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.74 85.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.352 0.596 . . . . 0.0 110.233 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 30.0 t70 -67.44 -42.84 82.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.659 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.581 ' HB3' HE22 ' A' ' 50' ' ' GLN . 9.0 p -62.57 -46.64 87.4 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.999 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.497 HG21 ' O ' ' B' ' 43' ' ' MET . 43.0 t -55.5 -44.48 76.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.111 0.481 . . . . 0.0 110.281 177.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -66.39 -51.7 54.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.952 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.546 ' O ' ' HG2' ' B' ' 52' ' ' GLN . 28.9 p -70.41 -25.64 63.32 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -76.72 -32.97 58.18 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.1 175.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.481 ' SD ' ' HB2' ' B' ' 12' ' ' PRO . 45.3 mtp -67.73 -42.74 81.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.008 177.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' B' ' 49' ' ' SER . 11.9 pt20 -66.4 -21.53 66.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.745 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' B' ' 49' ' ' SER . 48.8 mtpt -76.58 -24.05 53.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 175.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' MET . . . . . 0.533 ' SD ' ' HD2' ' B' ' 62' ' ' ARG . 74.1 mtm -98.88 -55.13 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.09 -175.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.28 -172.6 23.14 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.091 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -72.93 -9.59 23.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.967 2.445 . . . . 0.0 112.598 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -146.13 87.94 6.48 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.226 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.42 167.78 17.01 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.97 2.447 . . . . 0.0 112.2 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -67.24 129.84 21.31 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.361 2.041 . . . . 0.0 111.2 174.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -61.12 -30.53 70.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.967 -173.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.558 ' O ' ' HB3' ' B' ' 64' ' ' ARG . 35.0 p80 -61.68 -30.69 70.9 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.414 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.548 ' O ' ' HG2' ' B' ' 66' ' ' MET . 71.4 mtt180 -69.85 -40.05 76.02 Favored 'General case' 0 CA--C 1.522 -0.106 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.223 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.65 -35.03 79.69 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 1.033 HH22 ' HB3' ' A' ' 35' ' ' ASP . 54.8 ttp180 -53.44 -50.9 64.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.104 172.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.468 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -68.75 -22.58 64.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.725 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 93.3 mmm -72.51 -29.05 63.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.611 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -50.78 -59.47 4.06 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.547 0.53 . . . . 0.0 111.466 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 25.3 m -73.7 -27.44 61.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.2 -175.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.39 -54.43 45.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.957 0.408 . . . . 0.0 110.563 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.1 ttt -59.61 -44.49 93.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.06 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . 0.444 ' HB3' HG23 ' B' ' 116' ' ' VAL . . . -63.89 -45.69 88.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.304 -177.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.56 83.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.285 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.413 ' HE2' ' HB2' ' A' ' 65' ' ' ALA . 18.7 mm-40 -60.36 -50.08 75.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.242 178.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.432 ' O ' HG21 ' B' ' 78' ' ' VAL . 55.7 t -59.17 -41.64 84.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.937 0.398 . . . . 0.0 110.698 178.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.39 91.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.226 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -61.21 -43.21 99.24 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.562 HG23 ' HG3' ' B' ' 40' ' ' MET . 5.7 t -53.28 -57.76 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.054 177.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.432 HG21 ' O ' ' B' ' 74' ' ' VAL . 66.4 t -61.3 -39.86 84.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.456 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.19 -4.97 36.23 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 25.6 m -88.03 -12.72 43.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.301 0.572 . . . . 0.0 110.672 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 40.4 m -70.28 156.33 92.03 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.139 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . 0.635 ' HD2' ' HB2' ' B' ' 85' ' ' SER . 24.5 Cg_exo -64.49 163.06 28.3 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.672 2.248 . . . . 0.0 109.99 172.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -55.56 -43.28 59.51 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.345 2.03 . . . . 0.0 112.166 -173.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -69.82 -31.63 69.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.474 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.635 ' HB2' ' HD2' ' B' ' 82' ' ' PRO . 19.2 m -87.11 -27.41 23.12 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -53.36 -51.09 63.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.545 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 36.5 t -61.28 -40.77 95.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.873 0.368 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.71 -46.93 70.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.288 -178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.39 -42.68 96.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.979 0.419 . . . . 0.0 110.271 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.82 -51.38 70.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.365 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -55.99 -45.8 78.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.771 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 88.4 m -61.7 -55.77 26.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.848 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . 0.427 HD11 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -60.24 -41.69 87.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.117 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.78 -31.94 65.02 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.245 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.81 -39.73 21.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.735 0.303 . . . . 0.0 110.65 176.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 92.9 m -58.38 -39.21 79.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.213 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.578 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 6.9 mp -59.5 -45.72 90.9 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.732 0.301 . . . . 0.0 110.929 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -58.34 -52.62 64.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.698 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.7 -48.2 81.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.433 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.1 m -55.26 -38.55 68.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.358 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.815 ' HE2' ' SD ' ' B' ' 18' ' ' MET . 11.9 mmt -64.43 -43.76 93.34 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.043 0.449 . . . . 0.0 110.87 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.498 ' HE2' HG22 ' B' ' 108' ' ' VAL . 22.0 ttm -68.78 -29.13 67.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.206 -178.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -84.47 -24.93 29.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.847 0.356 . . . . 0.0 111.051 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.32 -56.62 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.312 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.442 HG22 ' CG2' ' B' ' 8' ' ' ILE . 81.3 p -107.29 -36.5 6.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.154 0.502 . . . . 0.0 111.239 -175.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 118.65 -13.79 11.79 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.528 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 22.0 m -128.84 154.24 46.65 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.498 HG22 ' HE2' ' B' ' 102' ' ' MET . 61.7 t -92.83 117.75 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.016 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -88.38 132.55 34.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.091 172.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -96.2 -19.74 19.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.553 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.72 -50.49 70.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.922 0.391 . . . . 0.0 110.801 -176.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -69.8 -49.1 56.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.286 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.509 ' HA ' HD23 ' B' ' 97' ' ' LEU . 24.4 m -55.18 -43.44 74.34 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.836 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -66.08 -42.4 89.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.691 0.282 . . . . 0.0 110.892 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.08 -45.47 83.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.444 HG23 ' HB3' ' B' ' 71' ' ' ALA . 60.9 t -62.84 -33.59 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.255 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.547 ' HA ' ' HE3' ' B' ' 117' ' ' MET . 26.2 mmt -68.62 -43.4 76.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.316 0.579 . . . . 0.0 109.846 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -67.87 -36.24 79.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.486 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' B' ' 116' ' ' VAL . 31.0 mt -62.12 -54.14 45.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.015 177.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 13.6 p -65.98 -34.75 72.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.653 -173.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . 0.431 ' HE3' ' HB3' ' B' ' 121' ' ' LYS . 28.4 mtpp -66.28 -40.39 90.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.95 0.405 . . . . 0.0 110.367 176.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.508 ' HE2' HD23 ' A' ' 119' ' ' LEU . 41.7 ttp -67.01 -40.22 87.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.006 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.35 -20.07 65.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.286 0.565 . . . . 0.0 111.208 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 33.7 m -105.1 10.7 33.84 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.776 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 121.248 0.547 . . . . 0.0 111.218 -178.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.519 HG12 ' HE3' ' A' ' 101' ' ' MET . 9.2 pt . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -74.76 3.79 7.43 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.248 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.5 m -60.17 -27.57 67.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.342 0.592 . . . . 0.0 109.826 171.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -128.02 115.39 20.41 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 170.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -65.17 -29.84 55.57 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.881 2.388 . . . . 0.0 112.63 -171.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -72.4 -39.13 68.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.781 0.324 . . . . 0.0 110.577 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.87 -42.88 84.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.239 0.542 . . . . 0.0 110.179 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.405 ' HA ' ' CD1' ' A' ' 8' ' ' ILE . . . -64.15 -41.07 97.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.635 176.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.505 ' HE3' HG12 ' A' ' 47' ' ' VAL . 48.3 ttm -62.81 -24.8 67.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.553 177.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.8 m -70.49 -34.35 72.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.089 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.89 ' HE3' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -65.41 -41.4 93.66 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -39.91 95.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.301 175.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -65.57 -48.41 72.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.625 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -62.54 -32.55 73.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.143 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.41 ' CD2' HD12 ' A' ' 97' ' ' LEU . 30.3 mt -61.54 -46.25 90.72 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.64 0.257 . . . . 0.0 110.673 176.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.71 -41.1 91.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.201 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.434 ' HB3' ' NH2' ' A' ' 28' ' ' ARG . 74.8 mt-30 -60.91 -47.95 84.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.021 0.439 . . . . 0.0 110.619 177.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.1 t -62.55 -39.16 92.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.692 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.18 -38.41 78.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.131 0.491 . . . . 0.0 111.206 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.9 t -67.77 -32.84 73.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.605 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.434 ' NH2' ' HB3' ' A' ' 24' ' ' GLN . 5.2 ptp180 -88.04 -20.58 25.58 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.561 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.5 p -80.27 -48.89 12.35 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.29 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.58 9.33 86.19 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.647 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.51 -18.74 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.246 0.546 . . . . 0.0 110.029 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.513 HD21 ' HB3' ' A' ' 36' ' ' GLN . 5.4 mp -84.47 175.05 9.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.319 178.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.8 p -108.67 178.77 4.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.683 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.92 99.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.907 0.384 . . . . 0.0 110.258 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.43 -50.91 68.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.982 174.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.513 ' HB3' HD21 ' A' ' 32' ' ' LEU . 48.1 mt-30 -64.03 -46.25 85.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.001 -177.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 78.6 mmm -66.56 -41.45 88.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.68 -31.93 71.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.101 0.477 . . . . 0.0 110.426 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.416 ' OD1' ' HB2' ' B' ' 65' ' ' ALA . 2.7 t70 -70.98 -45.58 63.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.1 178.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 50.0 mmm -58.67 -41.33 85.9 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.349 175.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.38 -40.93 99.46 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.848 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.519 ' HE3' ' HG3' ' B' ' 62' ' ' ARG . 13.6 tmm? -62.39 -39.83 94.5 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.58 0.229 . . . . 0.0 110.567 177.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.409 ' O ' HG21 ' A' ' 47' ' ' VAL . 39.6 ttp -55.19 -51.25 67.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.687 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.7 97.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.92 -45.37 90.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.316 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 24.8 t -58.34 -52.76 64.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.505 HG12 ' HE3' ' A' ' 16' ' ' MET . 53.6 t -56.16 -43.69 76.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-O 120.902 0.382 . . . . 0.0 110.655 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -63.69 -46.86 83.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.368 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 t -62.86 -44.8 95.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.651 -178.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 46' ' ' SER . 51.9 mt-30 -62.02 -38.34 88.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 68.0 mmm -62.44 -44.07 97.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.903 176.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -61.41 -33.08 73.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.793 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -78.23 -21.55 49.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.825 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.595 ' SD ' ' HD3' ' A' ' 62' ' ' ARG . 75.9 mtm -93.04 -43.14 9.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.749 0.309 . . . . 0.0 111.11 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.13 -147.11 18.44 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.591 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.84 132.64 17.32 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.766 2.311 . . . . 0.0 112.386 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 56.71 89.26 0.11 Allowed Pre-proline 0 N--CA 1.467 0.419 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.164 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -75.13 159.81 40.45 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.174 1.916 . . . . 0.0 111.409 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.474 ' HG2' ' CB ' ' A' ' 62' ' ' ARG . 12.7 Cg_endo -58.66 129.06 30.54 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.595 2.197 . . . . 0.0 111.85 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -59.23 -39.76 83.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.317 -175.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -67.41 -22.64 65.53 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.123 0.487 . . . . 0.0 110.356 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.595 ' HD3' ' SD ' ' A' ' 54' ' ' MET . 45.4 ttt180 -80.28 -28.82 38.27 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.18 -39.9 95.98 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.463 HH11 ' HG2' ' A' ' 64' ' ' ARG . 36.9 ttp85 -56.73 -44.02 81.22 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.106 172.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.452 ' HA ' ' OE2' ' B' ' 76' ' ' GLU . . . -65.76 -52.03 54.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.421 -0.808 . . . . 0.0 112.176 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 90.2 mmm -62.11 -31.04 71.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.396 -173.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -57.95 -45.83 86.04 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.214 0.531 . . . . 0.0 110.308 174.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 m -73.12 -39.15 65.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.734 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.82 53.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.192 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.9 ttt -55.64 -41.28 73.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.148 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -47.41 82.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.28 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.68 -29.82 68.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.33 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.615 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 48.6 mt-10 -65.2 -50.71 64.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.747 178.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.56 -41.17 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.21 0.528 . . . . 0.0 110.458 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.0 95.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.509 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.615 ' HG3' ' O ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -71.19 -22.51 62.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.383 -179.055 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 73' ' ' GLU . 54.6 t -65.81 -56.35 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 171.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 90' ' ' LEU . 55.8 t -63.66 -37.44 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.659 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.01 -0.29 15.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.1 m -118.75 21.3 12.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.858 0.837 . . . . 0.0 110.242 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.6 p -86.88 159.5 51.67 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.841 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -53.04 143.22 51.2 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.483 2.122 . . . . 0.0 111.821 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.49 -12.68 36.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.566 2.177 . . . . 0.0 112.16 -173.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -96.67 -2.69 44.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.875 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.1 m -133.91 0.53 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.615 -176.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -53.76 -48.33 69.84 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.036 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 p -62.07 -39.74 93.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.178 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.15 -47.99 72.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.044 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.76 -43.14 97.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.952 0.406 . . . . 0.0 110.188 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.405 ' HA ' HG12 ' A' ' 78' ' ' VAL . 10.3 tt -59.28 -51.35 70.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.412 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -57.6 -40.86 80.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.889 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.8 m -61.47 -57.51 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.46 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -44.03 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.145 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.57 -35.06 71.3 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.564 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.22 -41.65 33.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.699 0.285 . . . . 0.0 110.559 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 79.7 m -58.03 -40.89 82.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.89 ' HG ' ' HE3' ' A' ' 18' ' ' MET . 6.6 mp -56.93 -45.47 82.69 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.584 0.23 . . . . 0.0 111.486 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -64.99 -44.56 88.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.167 -177.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 67.2 mm-40 -65.45 -49.46 69.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.823 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.6 m -54.7 -39.6 68.33 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.609 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.519 ' HE3' HG12 ' A' ' 8' ' ' ILE . 12.8 mmt -60.33 -45.85 91.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.785 0.326 . . . . 0.0 110.601 177.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.478 ' HE3' HG23 ' A' ' 108' ' ' VAL . 28.2 ttm -69.63 -33.39 72.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.324 -178.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 13.0 mm100 -80.79 -16.91 52.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.775 0.322 . . . . 0.0 111.065 -178.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.66 -47.69 5.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.737 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.465 HG22 ' CG2' ' A' ' 8' ' ' ILE . 67.5 p -111.87 -20.92 11.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.908 0.385 . . . . 0.0 111.62 -174.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.22 3.04 70.16 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.1 p -142.67 153.98 43.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -177.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.478 HG23 ' HE3' ' A' ' 102' ' ' MET . 85.1 t -107.89 117.87 54.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.701 -176.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -87.95 125.57 34.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 170.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -96.76 -9.0 29.81 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.854 0.359 . . . . 0.0 110.533 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.3 -51.84 40.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.839 0.352 . . . . 0.0 110.271 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -65.95 -49.92 66.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.998 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.527 ' HA ' HD23 ' A' ' 97' ' ' LEU . 22.2 m -52.31 -46.26 65.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.481 -0.782 . . . . 0.0 112.033 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.464 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 52.4 t30 -67.86 -42.86 80.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.729 0.3 . . . . 0.0 110.625 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -57.07 -46.69 82.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.919 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 78.1 t -61.35 -35.05 63.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.996 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.602 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 13.8 mmt -69.92 -38.43 76.24 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -177.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 68.0 mm-40 -74.89 -34.61 62.21 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.346 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.06 -51.72 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.158 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 12.2 p -65.94 -34.62 71.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.348 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -60.9 -54.45 44.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.098 0.475 . . . . 0.0 110.362 175.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.518 ' HE1' HD21 ' B' ' 119' ' ' LEU . 34.1 ttp -64.97 -42.87 94.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.712 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 49.9 tp -67.33 -30.78 70.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.507 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 121.301 0.572 . . . . 0.0 110.581 -178.911 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.58 ' HB ' HG21 ' B' ' 105' ' ' THR . 1.1 pp . . . . . 0 CA--C 1.531 0.244 0 CA-C-O 120.93 0.395 . . . . 0.0 111.502 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -81.58 88.1 6.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.439 0.638 . . . . 0.0 110.958 177.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.5 m -149.39 -50.79 0.15 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.537 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -89.64 117.21 67.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 171.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -66.48 -34.74 32.85 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.807 2.338 . . . . 0.0 112.609 -173.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -73.85 -34.89 64.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.835 0.35 . . . . 0.0 110.316 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.04 -48.27 71.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.11 93.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.637 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 50.8 ttm -59.78 -27.16 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.063 178.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.1 m -65.74 -41.08 92.63 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.229 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.458 ' HE3' ' HE2' ' B' ' 101' ' ' MET . 0.2 OUTLIER -62.66 -41.12 98.89 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.294 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.463 ' HA ' ' HE1' ' B' ' 70' ' ' MET . 1.2 m -61.87 -42.68 99.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.811 177.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' B' ' 24' ' ' GLN . 14.7 t-20 -73.17 -40.35 64.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.889 -176.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.18 -36.44 79.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.715 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.716 HD23 HD12 ' B' ' 97' ' ' LEU . 37.5 mt -58.47 -45.76 87.98 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.07 -36.27 77.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.466 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' B' ' 20' ' ' ASN . 69.7 mt-30 -63.78 -44.65 92.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.475 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . 0.422 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 30.9 p -77.98 -37.0 48.33 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.865 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.17 91.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.062 0.458 . . . . 0.0 110.742 176.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -65.19 -27.99 69.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.796 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.422 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 18.5 ptp180 -103.94 -6.26 21.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 31.2 p -86.59 -39.18 16.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.944 0.402 . . . . 0.0 110.098 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.49 17.82 76.57 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.671 176.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 p -88.93 -13.99 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.352 0.596 . . . . 0.0 109.871 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' B' ' 36' ' ' GLN . 5.6 mp -94.96 159.18 15.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.85 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 44.5 p -96.67 -176.8 3.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.95 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.47 97.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.527 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -57.71 -51.27 70.22 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.518 ' HB3' HG11 ' B' ' 77' ' ' VAL . 79.7 mt-30 -60.85 -50.91 71.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.934 -178.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 83.3 mmm -67.07 -35.29 79.5 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -72.86 -31.1 64.5 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.15 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.411 ' O ' ' HG2' ' B' ' 42' ' ' MET . 25.8 t0 -69.49 -50.24 47.17 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 175.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.489 ' HG2' HG23 ' B' ' 77' ' ' VAL . 55.2 mmm -57.17 -43.01 82.21 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.732 176.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.94 -45.37 92.59 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.096 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.542 ' HE2' ' HG3' ' A' ' 62' ' ' ARG . 20.3 ptt? -73.01 -21.98 60.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.648 0.261 . . . . 0.0 110.499 -179.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' MET . . . . . 0.51 ' O ' HG21 ' B' ' 47' ' ' VAL . 46.0 ttp -60.27 -57.68 11.77 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 173.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.2 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.185 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.523 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 20.9 t70 -56.88 -41.66 78.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.282 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.0 t -65.44 -48.18 73.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.283 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.51 HG21 ' O ' ' B' ' 43' ' ' MET . 24.3 t -57.18 -47.64 83.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 120.938 0.399 . . . . 0.0 110.003 178.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' B' ' 52' ' ' GLN . 4.5 m-20 -56.23 -51.19 69.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.609 175.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 22.3 t -59.55 -47.95 83.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.993 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -65.49 -36.75 84.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.987 -176.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.427 ' HE3' ' HG3' ' B' ' 58' ' ' PRO . 62.4 mmm -67.11 -40.81 86.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.919 176.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' B' ' 48' ' ' ASN . 48.8 mt-30 -69.3 -21.42 63.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.98 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -80.02 -34.71 38.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 75.0 mtm -86.05 -50.01 7.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 -177.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.2 -160.39 18.51 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.545 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.43 136.39 28.59 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.789 2.326 . . . . 0.0 112.551 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 63.91 73.21 0.48 Allowed Pre-proline 0 N--CA 1.467 0.401 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.969 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . 0.427 ' HG3' ' HE3' ' B' ' 51' ' ' MET . 66.4 Cg_endo -85.04 172.05 8.86 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.833 2.355 . . . . 0.0 112.301 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.41 114.64 2.03 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.681 2.254 . . . . 0.0 111.691 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -63.56 -36.36 83.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -176.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.564 ' O ' ' HB3' ' B' ' 64' ' ' ARG . 0.2 OUTLIER -71.06 -23.94 62.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.133 0.492 . . . . 0.0 110.146 -178.755 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.527 ' O ' ' HG2' ' B' ' 66' ' ' MET . 26.0 ttm180 -74.22 -33.24 63.31 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.68 -36.29 83.36 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 0.564 ' HB3' ' O ' ' B' ' 61' ' ' HIS . 20.8 ttp85 -55.82 -46.01 78.19 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.444 173.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.554 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -67.88 -41.26 83.04 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.784 179.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 96.0 mmm -61.77 -27.1 68.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.04 -178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -53.96 -52.04 61.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.433 174.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.529 HG21 ' HB3' ' A' ' 76' ' ' GLU . 15.9 m -67.68 -37.55 82.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.071 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.49 -52.15 66.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 0.0 110.77 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' MET . . . . . 0.463 ' HE1' ' HA ' ' B' ' 19' ' ' THR . 19.8 ttt -60.01 -45.54 92.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.95 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.05 99.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.533 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.82 -37.5 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.468 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.589 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . 16.4 mt-10 -62.52 -44.17 97.03 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.05 178.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.439 ' O ' HG21 ' B' ' 78' ' ' VAL . 71.6 t -60.45 -41.53 87.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.033 0.444 . . . . 0.0 110.483 177.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.23 -48.41 73.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.5 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.589 ' HG2' ' HA ' ' B' ' 73' ' ' GLU . 6.5 pt-20 -63.26 -33.57 75.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.49 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.518 HG11 ' HB3' ' B' ' 36' ' ' GLN . 20.6 t -59.11 -54.28 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.369 174.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.482 ' HB ' HG22 ' B' ' 120' ' ' VAL . 68.7 t -60.87 -42.81 94.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.329 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.44 -25.71 66.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.214 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 23.0 m -87.94 75.5 8.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.522 0.677 . . . . 0.0 110.221 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.484 ' HB3' ' NE2' ' B' ' 36' ' ' GLN . 57.3 p -157.54 163.54 24.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.142 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.31 147.07 95.59 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.083 1.855 . . . . 0.0 110.826 172.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.21 -21.94 67.21 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.177 1.918 . . . . 0.0 111.935 -173.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -81.15 -16.34 53.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.223 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.407 ' O ' HG21 ' B' ' 89' ' ' VAL . 32.1 m -114.36 -21.12 10.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.232 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -49.62 -47.54 49.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.812 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 7.2 t -63.21 -31.96 73.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.669 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.51 -44.36 35.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.569 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.407 HG21 ' O ' ' B' ' 85' ' ' SER . 44.2 t -60.36 -43.7 94.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.167 0.508 . . . . 0.0 109.883 177.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -57.58 -51.64 68.65 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.53 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.53 -37.83 82.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.181 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 58.1 m -63.29 -53.12 57.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.392 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . 0.443 HD11 ' HA ' ' B' ' 93' ' ' ILE . 1.2 mm -62.49 -42.68 96.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.385 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.85 -36.47 87.39 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.386 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.5 -44.92 56.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.932 0.396 . . . . 0.0 110.15 175.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' CYS . . . . . 0.445 ' HB3' HD21 ' B' ' 22' ' ' LEU . 23.1 m -54.99 -41.13 70.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.0 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.716 HD12 HD23 ' B' ' 22' ' ' LEU . 1.9 mp -52.96 -49.1 66.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 111.703 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' B' ' 98' ' ' ARG . 13.3 ttt-85 -60.37 -51.55 69.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.23 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.42 -44.77 86.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.133 -177.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 66.3 m -55.35 -42.7 74.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.214 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.458 ' HE2' ' HE3' ' B' ' 18' ' ' MET . 17.5 mmt -63.58 -43.75 96.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.83 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.486 ' HE3' HG23 ' B' ' 108' ' ' VAL . 26.8 ttm -65.74 -35.81 81.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.354 -179.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -86.31 -4.17 59.12 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.803 0.335 . . . . 0.0 111.459 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.22 -59.92 1.62 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.966 0.412 . . . . 0.0 111.167 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.58 HG21 ' HB ' ' B' ' 8' ' ' ILE . 57.8 p -99.83 -23.23 15.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.145 0.498 . . . . 0.0 111.079 -175.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 100.57 6.84 52.38 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.774 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 38.5 p -152.07 156.63 40.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.486 HG23 ' HE3' ' B' ' 102' ' ' MET . 60.9 t -91.76 114.37 28.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.814 0.34 . . . . 0.0 111.051 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -86.21 137.34 32.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.784 173.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -97.9 -29.22 13.45 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.008 -176.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.75 -50.61 73.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.749 0.309 . . . . 0.0 111.416 -177.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . 0.431 ' O ' HG21 ' B' ' 116' ' ' VAL . 79.4 t80 -69.19 -49.03 60.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.074 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.534 ' HA ' HD21 ' B' ' 97' ' ' LEU . 32.8 m -56.78 -43.16 80.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.181 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . 0.575 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 9.5 t30 -64.87 -48.64 73.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.174 178.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.22 -42.69 95.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.1 -173.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.528 ' HA ' HD13 ' B' ' 119' ' ' LEU . 63.9 t -59.6 -38.4 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.95 0.405 . . . . 0.0 111.162 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.569 ' HA ' ' HE3' ' B' ' 117' ' ' MET . 11.2 mmt -69.04 -39.8 78.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.123 0.487 . . . . 0.0 110.028 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' B' ' 114' ' ' ASN . 51.8 mm-40 -71.15 -35.23 71.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.21 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.528 HD13 ' HA ' ' B' ' 116' ' ' VAL . 13.6 mt -58.32 -49.08 78.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.051 177.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . 0.482 HG22 ' HB ' ' B' ' 78' ' ' VAL . 15.0 p -72.12 -32.42 43.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.908 0.385 . . . . 0.0 111.259 -176.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -65.19 -43.73 90.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.482 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.439 ' HE1' ' HB3' ' B' ' 122' ' ' MET . 12.7 tmm? -69.23 -40.83 77.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.947 -179.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 42.3 tp -66.42 -32.46 73.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.064 0.459 . . . . 0.0 110.791 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 35.7 t -92.1 6.21 47.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.79 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.911 0.386 . . . . 0.0 110.877 -178.147 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.444 HD11 ' HE3' ' A' ' 101' ' ' MET . 2.4 pp . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.57 0.224 . . . . 0.0 111.378 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -70.15 89.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.685 0.755 . . . . 0.0 111.28 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.2 m -148.08 -44.46 0.16 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.784 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -101.12 120.72 54.37 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.797 173.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -71.81 -36.4 6.29 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.701 2.267 . . . . 0.0 112.606 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -67.94 -34.96 77.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.982 0.42 . . . . 0.0 110.586 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.57 -43.86 79.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.315 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.92 -35.64 80.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.698 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 50.3 ttm -61.2 -28.96 69.52 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.866 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.0 m -64.36 -39.99 94.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.815 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.474 ' HE3' ' HG ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -63.66 -41.22 98.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.574 178.707 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.476 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 1.2 m -62.32 -45.53 92.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.662 178.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -68.8 -41.95 77.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.862 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -63.69 -34.0 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.39 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.677 HD22 HD12 ' A' ' 97' ' ' LEU . 23.8 mt -61.81 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.861 176.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.83 -44.49 99.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.879 0.371 . . . . 0.0 110.531 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 48.3 mt-30 -61.17 -43.41 98.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.105 0.478 . . . . 0.0 110.134 177.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.5 t -66.48 -38.4 87.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.258 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.8 -36.12 72.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.098 0.475 . . . . 0.0 110.62 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.8 t -66.57 -43.74 84.16 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.171 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.3 ptm180 -69.15 -39.15 78.99 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.236 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.514 ' HB2' HG22 ' A' ' 31' ' ' VAL . 28.0 p -67.71 -45.18 75.85 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.64 0.257 . . . . 0.0 110.58 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.84 6.56 85.55 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.799 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.514 HG22 ' HB2' ' A' ' 29' ' ' SER . 12.2 t -66.84 -29.23 45.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.478 0.656 . . . . 0.0 110.078 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.473 ' HB3' ' HB2' ' A' ' 36' ' ' GLN . 5.6 mp -90.78 149.36 22.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.141 -174.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.3 p -84.18 177.77 8.08 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.189 -177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.25 -30.96 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.483 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.17 -50.91 66.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.448 0.642 . . . . 0.0 109.433 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.633 ' HB3' HG11 ' A' ' 77' ' ' VAL . 49.0 mt-30 -65.09 -47.82 75.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.266 -178.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.08 -43.35 98.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.498 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.18 -37.13 86.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.439 . . . . 0.0 110.735 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.46 ' HB3' HG21 ' A' ' 77' ' ' VAL . 1.2 t70 -68.72 -44.53 73.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.336 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.422 ' O ' ' HB3' ' A' ' 43' ' ' MET . 93.7 mtp -61.82 -30.41 70.81 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.107 0.48 . . . . 0.0 110.378 176.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.85 -48.32 84.61 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.097 175.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.46 ' SD ' ' HD3' ' B' ' 62' ' ' ARG . 12.6 ptt? -73.37 -20.44 60.76 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.308 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.556 ' O ' HG22 ' A' ' 47' ' ' VAL . 48.7 ttp -59.99 -53.49 57.24 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -38.57 84.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.247 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.95 -45.93 91.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.251 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.0 p -62.32 -35.08 77.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.972 0.415 . . . . 0.0 111.192 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 43' ' ' MET . 28.3 t -65.72 -38.33 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.134 177.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -79.52 -40.18 30.24 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.089 -177.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.423 ' HB3' ' HE3' ' B' ' 53' ' ' LYS . 7.8 p -65.51 -28.0 68.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.513 ' HB3' ' HE2' ' A' ' 54' ' ' MET . 90.1 mt-30 -74.83 -29.45 61.07 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.255 173.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 93.1 mmm -70.31 -36.38 74.26 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.82 -178.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -72.07 -25.78 61.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.0 110.463 177.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -71.99 -53.31 13.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.096 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.513 ' HE2' ' HB3' ' A' ' 50' ' ' GLN . 55.9 mtm -89.93 -40.02 12.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.016 -171.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.2 -174.77 15.52 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -174.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.98 -1.81 11.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.814 2.342 . . . . 0.0 112.56 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -128.3 78.84 75.01 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.674 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.0 164.9 34.13 Favored 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 122.966 2.444 . . . . 0.0 112.114 171.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.526 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 36.5 Cg_endo -67.53 152.8 77.94 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.497 2.131 . . . . 0.0 111.744 175.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -58.12 -38.77 77.15 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.799 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.685 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 28.7 p80 -64.71 -25.1 67.79 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.781 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.526 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 2.9 tmt_? -69.91 -29.38 66.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.9 -50.45 49.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.218 176.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.685 ' HG2' ' HA ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -65.66 -30.25 70.92 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.238 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.65 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -69.22 -52.64 25.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.318 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.426 ' HA ' ' HB2' ' A' ' 69' ' ' ALA . 98.0 mmm -64.98 -24.02 67.39 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.123 -176.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -55.04 -37.71 67.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.232 0.539 . . . . 0.0 109.97 172.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.497 HG23 ' HB2' ' B' ' 72' ' ' ALA . 8.0 m -89.84 -41.81 11.61 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.887 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 66' ' ' MET . . . -57.61 -55.16 38.47 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -178.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.476 ' HE3' ' HA ' ' A' ' 19' ' ' THR . 19.5 ttt -60.82 -41.32 95.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.998 0.427 . . . . 0.0 110.665 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.432 ' HB2' HG23 ' A' ' 116' ' ' VAL . . . -66.82 -43.65 83.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.26 -178.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.487 ' HB2' HG23 ' B' ' 68' ' ' THR . . . -64.88 -35.86 82.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 77' ' ' VAL . 27.8 mm-40 -61.46 -50.88 70.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.717 175.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.446 ' O ' HG21 ' A' ' 78' ' ' VAL . 79.7 t -57.62 -43.02 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.348 . . . . 0.0 110.473 176.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.58 93.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.471 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 7.2 tp10 -59.49 -46.59 88.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.194 0.521 . . . . 0.0 110.061 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.633 HG11 ' HB3' ' A' ' 36' ' ' GLN . 54.5 t -56.48 -48.98 79.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.276 178.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 74' ' ' VAL . 91.1 t -65.38 -44.97 94.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.239 -178.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.76 -28.75 68.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.706 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 35.2 m -84.77 76.39 10.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.527 0.679 . . . . 0.0 110.633 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.8 p -160.8 170.45 8.46 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.029 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -58.36 138.62 86.82 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 121.863 1.708 . . . . 0.0 110.234 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.56 -16.32 54.58 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.112 1.875 . . . . 0.0 112.136 -172.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -88.56 -25.73 22.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.301 0.572 . . . . 0.0 110.63 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.408 ' O ' HG22 ' A' ' 89' ' ' VAL . 69.4 m -94.6 -15.18 24.28 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.332 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -51.81 -45.28 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.849 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -61.83 -42.34 98.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.259 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.04 77.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.022 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 85' ' ' SER . 59.1 t -63.42 -46.32 95.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.327 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.77 -49.83 75.29 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.186 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -56.49 -44.15 80.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.065 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.3 m -63.97 -52.78 58.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.879 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.424 ' O ' HD11 ' A' ' 97' ' ' LEU . 1.3 mm -63.99 -47.51 90.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.774 178.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.58 -43.53 97.56 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.952 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.59 -35.78 70.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.837 0.351 . . . . 0.0 110.965 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.3 t -81.91 -20.19 39.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.555 -175.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.677 HD12 HD22 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -55.17 -44.26 75.04 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.425 0.631 . . . . 0.0 109.851 173.324 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.489 ' HG3' HG21 ' A' ' 108' ' ' VAL . 71.1 ttt-85 -61.77 -49.27 77.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.721 178.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 14.4 mm-40 -63.36 -49.17 74.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.715 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.2 m -55.03 -45.32 75.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.701 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.444 ' HE3' HD11 ' A' ' 8' ' ' ILE . 11.8 mmt -60.63 -41.08 94.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.836 0.351 . . . . 0.0 110.859 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 31.3 ttm -70.15 -29.98 67.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.954 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 77.8 mm-40 -80.82 -28.53 36.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.017 0.436 . . . . 0.0 110.521 178.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.59 -50.32 10.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.802 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 44.0 p -109.29 -32.52 7.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 111.603 -175.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.51 -14.93 7.66 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.009 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.3 p -148.5 168.08 23.65 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.489 HG21 ' HG3' ' A' ' 98' ' ' ARG . 3.4 p -94.56 122.05 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.505 0.669 . . . . 0.0 112.122 -173.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -80.8 127.97 33.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.706 174.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -108.32 15.64 23.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.147 0.499 . . . . 0.0 110.756 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -96.5 -48.98 5.33 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.538 ' O ' HG22 ' A' ' 116' ' ' VAL . 88.3 t80 -70.53 -52.16 23.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.186 177.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.539 HG22 ' HB3' ' A' ' 97' ' ' LEU . 42.6 m -54.61 -42.65 71.4 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.304 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -69.33 -40.37 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.553 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -63.31 -42.44 99.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.813 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 112' ' ' PHE . 57.5 t -56.84 -38.14 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.278 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.575 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 25.1 mmt -69.56 -36.07 75.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.239 -175.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -76.18 -40.07 53.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.677 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.52 HD23 ' HE3' ' B' ' 122' ' ' MET . 14.7 mt -55.9 -45.24 78.71 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.002 178.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.0 p -74.22 -36.18 42.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.169 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.04 -44.02 98.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.983 0.421 . . . . 0.0 110.592 177.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.477 ' HE1' HD22 ' B' ' 119' ' ' LEU . 38.5 ttp -68.41 -36.71 79.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 36.7 tp -75.33 -22.0 57.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.001 0.429 . . . . 0.0 110.785 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 179.059 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.408 HD13 ' HE2' ' B' ' 101' ' ' MET . 2.6 pp . . . . . 0 CA--C 1.532 0.275 0 CA-C-O 121.104 0.478 . . . . 0.0 111.808 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . 0.499 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 79.5 m95 -90.24 17.41 7.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.48 -175.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.9 p -69.72 -31.59 69.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.378 0.609 . . . . 0.0 109.614 174.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -120.99 100.97 45.5 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.388 173.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.08 -32.85 63.6 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.351 2.701 . . . . 0.0 113.661 -168.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -71.52 -25.45 62.25 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.282 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.71 -35.09 45.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.429 . . . . 0.0 109.891 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.38 -36.71 83.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.868 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -62.26 -31.24 71.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.231 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 23.1 m -64.32 -36.46 84.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.203 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 1.02 ' HE2' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.9 -44.22 93.61 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.393 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.43 ' HA ' ' HE1' ' B' ' 70' ' ' MET . 1.2 m -61.51 -43.47 98.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.714 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -65.9 -52.46 49.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.801 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -64.04 -27.78 69.34 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.41 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.54 HD12 HD11 ' B' ' 97' ' ' LEU . 13.5 tp -65.34 -34.24 77.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.228 0.537 . . . . 0.0 110.504 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' B' ' 40' ' ' MET . 58.7 t -76.72 -35.11 24.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.239 178.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -67.15 -40.8 86.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.964 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . 0.481 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 28.7 p -70.84 -30.05 66.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.042 0.449 . . . . 0.0 110.512 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.89 -37.44 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.28 0.562 . . . . 0.0 110.615 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 22.6 t -71.95 -34.55 69.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.732 -178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.481 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 3.1 ptm180 -74.5 -33.83 62.92 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.774 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.491 ' HB2' HG21 ' B' ' 31' ' ' VAL . 14.2 p -72.16 -50.89 24.2 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.972 0.415 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.13 16.64 76.15 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.626 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.491 HG21 ' HB2' ' B' ' 29' ' ' SER . 14.4 t -72.9 -30.17 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.498 0.666 . . . . 0.0 109.887 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.471 ' N ' HD12 ' B' ' 32' ' ' LEU . 4.6 mp -88.09 158.52 18.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.499 -176.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 44.0 p -87.65 173.07 9.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.144 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.64 -38.55 91.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.802 0.334 . . . . 0.0 111.056 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -58.99 -45.37 90.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.12 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.64 ' HB3' HG11 ' B' ' 77' ' ' VAL . 24.6 mt-30 -68.56 -44.98 73.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.878 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 78.5 mmm -61.12 -41.99 97.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.226 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -65.54 -34.15 77.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.621 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' B' ' 42' ' ' MET . 4.0 t70 -62.99 -45.9 90.24 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.231 0.539 . . . . 0.0 110.36 177.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.508 ' HB3' HG21 ' B' ' 23' ' ' VAL . 86.3 mtp -63.59 -34.46 77.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.536 177.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.69 -45.17 93.6 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.156 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.456 ' HG2' ' O ' ' B' ' 39' ' ' ASP . 22.0 ptt? -70.84 -23.61 62.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.826 0.346 . . . . 0.0 110.179 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' MET . . . . . 0.469 ' HB3' ' O ' ' B' ' 40' ' ' MET . 52.5 ttp -60.34 -49.95 75.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.092 174.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.19 95.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -65.85 -42.05 90.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.711 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.5 p -60.01 -47.59 85.22 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.249 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.41 HG22 ' O ' ' B' ' 43' ' ' MET . 21.3 t -57.77 -44.26 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.406 0.622 . . . . 0.0 109.869 176.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.29 -45.6 90.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.782 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.502 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 24.0 m -68.87 -46.36 68.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.374 -177.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -59.78 -37.37 78.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.05 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 79.6 mmm -56.34 -48.47 76.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.501 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -70.64 -24.57 62.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.448 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.637 ' HZ1' ' HB3' ' B' ' 53' ' ' LYS . 3.0 mmmp? -67.53 -37.17 82.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.117 0.484 . . . . 0.0 110.297 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.4 mtm -94.92 -54.17 3.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.772 -173.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.04 -171.79 27.66 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.457 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.5 -40.13 50.05 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.984 2.456 . . . . 0.0 112.65 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -132.04 90.82 34.2 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.937 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . 0.516 ' HG2' HD21 ' B' ' 63' ' ' LEU . 73.7 Cg_endo -75.78 163.44 33.63 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.732 2.288 . . . . 0.0 111.953 175.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.474 ' HG2' ' HD2' ' B' ' 62' ' ' ARG . 10.4 Cg_endo -55.66 122.49 11.84 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.753 2.302 . . . . 0.0 111.781 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . 0.529 ' HA ' HD22 ' B' ' 63' ' ' LEU . 15.3 mm100 -58.15 -26.44 62.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.57 -172.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.49 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 3.8 p80 -65.08 -28.27 69.35 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.323 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.524 ' O ' ' HG2' ' B' ' 66' ' ' MET . 90.9 mtt180 -72.37 -27.09 62.16 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.529 HD22 ' HA ' ' B' ' 60' ' ' GLN . 3.8 mm? -70.93 -40.64 71.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.708 177.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 34.7 ptt180 -67.12 -28.33 68.06 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.129 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.471 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -72.96 -42.92 62.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.687 173.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.524 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 92.0 mmm -56.14 -30.67 62.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 177.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . 0.438 ' HA ' ' CZ2' ' B' ' 9' ' ' TRP . 7.6 t30 -53.76 -45.38 70.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.43 174.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.487 HG23 ' HB2' ' A' ' 72' ' ' ALA . 24.5 m -73.69 -39.61 64.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.847 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.72 -52.9 63.13 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.34 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' MET . . . . . 0.43 ' HE1' ' HA ' ' B' ' 19' ' ' THR . 20.7 ttt -59.22 -44.86 92.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.742 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . 0.449 ' HB2' HG22 ' B' ' 116' ' ' VAL . . . -63.03 -42.8 99.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.384 -178.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.497 ' HB2' HG23 ' A' ' 68' ' ' THR . . . -67.44 -37.56 83.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.332 -178.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.471 ' O ' HG21 ' B' ' 77' ' ' VAL . 28.2 mm-40 -59.63 -49.73 76.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.76 176.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.491 ' O ' HG23 ' B' ' 78' ' ' VAL . 78.8 t -58.61 -44.36 89.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.679 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.79 -42.58 93.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.65 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 13.7 tp10 -61.72 -47.97 82.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.093 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.64 HG11 ' HB3' ' B' ' 36' ' ' GLN . 69.9 t -54.58 -47.08 72.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 178.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 74' ' ' VAL . 59.5 t -66.13 -45.49 90.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.694 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.5 -7.04 44.97 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 55.1 m -78.38 -30.35 47.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 110.942 178.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 73.3 p -71.63 152.97 93.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.056 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -64.36 160.61 38.23 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.474 2.116 . . . . 0.0 110.974 175.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -53.48 -34.29 71.38 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.569 2.18 . . . . 0.0 111.856 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -62.55 -32.03 72.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.553 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 23.9 m -105.9 -26.38 11.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.994 -175.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -49.95 -48.95 51.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.13 -176.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -63.48 -44.93 92.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.823 0.344 . . . . 0.0 110.95 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.06 -42.93 83.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.072 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 74.1 t -63.06 -46.42 96.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.183 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -56.85 -48.47 78.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.202 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -59.58 -42.41 92.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.971 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -65.39 -48.9 71.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.616 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.2 mm -64.81 -48.98 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.767 177.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.27 -43.63 84.32 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.83 -177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . 0.41 ' O ' ' HG2' ' B' ' 99' ' ' GLU . . . -70.65 -38.67 73.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.882 0.372 . . . . 0.0 110.699 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' CYS . . . . . 0.472 ' SG ' HD11 ' B' ' 22' ' ' LEU . 46.6 t -66.3 -32.55 74.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.863 -176.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 1.02 ' HG ' ' HE2' ' B' ' 18' ' ' MET . 6.2 mp -58.46 -39.61 80.38 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.024 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.485 ' HG3' HG23 ' B' ' 108' ' ' VAL . 69.0 ttt-85 -61.95 -48.33 80.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.246 176.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' B' ' 103' ' ' GLN . 4.3 mm-40 -64.24 -50.37 68.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.679 -177.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 72.5 m -57.63 -40.33 78.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.308 -175.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.41 ' HE1' ' HG3' ' B' ' 18' ' ' MET . 16.1 mmt -63.73 -39.85 95.32 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.528 178.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 25.7 ttm -70.74 -25.38 62.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.655 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . 0.597 ' HG2' ' O ' ' B' ' 99' ' ' GLU . 73.6 mm-40 -85.71 -23.25 27.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.881 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.4 -54.56 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.772 -175.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 77.3 p -100.11 -26.05 14.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.148 0.499 . . . . 0.0 110.651 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 101.7 5.19 51.51 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -174.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 25.7 p -150.53 144.65 25.46 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.485 HG23 ' HG3' ' B' ' 98' ' ' ARG . 5.1 p -90.7 129.21 41.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.065 0.46 . . . . 0.0 110.707 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -98.71 140.5 32.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.01 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -95.62 -20.24 19.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.753 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.16 71.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.599 0.238 . . . . 0.0 111.124 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -70.42 -49.12 52.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.338 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.514 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 11.3 m -54.58 -45.15 73.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.987 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -67.04 -40.34 87.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.78 0.324 . . . . 0.0 110.775 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -56.54 -48.6 76.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.163 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.467 HG23 HD21 ' B' ' 97' ' ' LEU . 61.4 t -60.85 -35.07 62.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.568 ' HE1' ' HA ' ' B' ' 117' ' ' MET . 29.8 mmt -68.55 -40.92 80.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.366 -178.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -68.65 -41.86 78.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.077 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.477 HD22 ' HE1' ' A' ' 122' ' ' MET . 17.8 mt -56.22 -53.23 59.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.564 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.57 -34.78 71.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.617 -172.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -66.95 -34.7 78.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.101 0.477 . . . . 0.0 110.487 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.52 ' HE3' HD23 ' A' ' 119' ' ' LEU . 39.7 ttp -79.0 -35.96 41.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.473 -177.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.418 HD22 HG21 ' A' ' 68' ' ' THR . 5.5 mp -60.93 -34.69 75.11 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.904 0.383 . . . . 0.0 111.974 -176.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 62.6 m -95.75 10.36 37.25 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.228 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 0.0 111.057 -179.355 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.522 HG12 ' HE1' ' A' ' 101' ' ' MET . 9.5 pt . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 120.844 0.354 . . . . 0.0 111.895 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.418 ' CE2' ' HA ' ' A' ' 67' ' ' ASN . 80.4 m95 -81.03 21.17 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.573 -177.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.2 p -78.83 -16.28 57.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.406 0.622 . . . . 0.0 109.565 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.472 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 42.7 m-80 -132.67 116.17 14.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.445 176.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -59.71 -41.07 58.69 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.85 2.367 . . . . 0.0 112.587 -176.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -77.22 -32.3 55.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.375 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 11' ' ' ASN . . . -67.23 -43.38 82.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.135 176.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.78 -41.25 92.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.363 176.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.0 ttm -57.59 -33.77 68.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.781 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.0 m -62.15 -39.88 94.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.272 177.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.912 ' HE2' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -63.94 -41.71 97.53 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.152 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.437 ' HA ' ' HE1' ' A' ' 70' ' ' MET . 1.0 OUTLIER -60.33 -47.75 84.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.689 178.003 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 94.3 m-20 -62.02 -46.32 89.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.794 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.53 -32.72 71.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.145 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.404 ' CD2' HD12 ' A' ' 97' ' ' LEU . 29.5 mt -63.46 -45.79 89.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.623 0.249 . . . . 0.0 110.746 175.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.34 -40.86 89.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.183 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 75.8 mt-30 -59.82 -51.57 69.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.469 176.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.0 t -62.15 -37.34 84.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.039 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.48 ' HB2' HD11 ' A' ' 32' ' ' LEU . . . -71.9 -40.62 68.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.019 0.438 . . . . 0.0 111.3 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.0 t -67.71 -33.97 75.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.288 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 14.8 ptm180 -77.27 -36.93 53.92 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.059 178.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 p -68.66 -47.29 66.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.792 0.329 . . . . 0.0 110.693 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.96 23.61 77.75 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.345 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.9 p -86.59 -17.31 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.196 0.522 . . . . 0.0 110.102 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 26' ' ' ALA . 5.3 mp -90.87 153.85 19.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.941 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.0 p -83.59 176.39 9.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.045 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.94 -37.46 87.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.87 0.367 . . . . 0.0 110.8 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.26 -61.41 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.388 0.613 . . . . 0.0 109.808 175.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.621 ' HB3' HG11 ' A' ' 77' ' ' VAL . 44.5 mt-30 -57.42 -46.28 83.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.842 -175.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 73.1 mmm -62.72 -38.15 89.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.139 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -78.28 -32.51 49.53 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.569 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.481 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 66.7 m-20 -69.62 -34.39 74.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.99 0.424 . . . . 0.0 109.965 175.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.427 ' O ' ' HB3' ' A' ' 43' ' ' MET . 46.6 mmm -60.56 -39.18 87.03 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.502 0.668 . . . . 0.0 109.856 171.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.52 -45.02 95.75 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.467 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.587 ' SD ' ' HG3' ' B' ' 62' ' ' ARG . 12.2 ptt? -71.15 -22.67 62.02 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 122.614 -0.345 . . . . 0.0 110.626 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.427 ' HB3' ' O ' ' A' ' 40' ' ' MET . 41.9 ttp -60.67 -53.9 51.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 174.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.75 -40.34 96.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.374 176.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.513 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 28.1 t70 -60.45 -41.39 94.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.413 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.2 t -60.18 -50.78 72.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.168 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.427 ' O ' ' HG2' ' A' ' 51' ' ' MET . 44.2 t -57.41 -42.54 80.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.038 0.447 . . . . 0.0 110.501 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -66.18 -54.13 29.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.132 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 16.5 p -64.07 -34.22 77.53 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -175.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.782 ' HB3' HH22 ' A' ' 62' ' ' ARG . 15.2 mm100 -62.06 -37.85 86.58 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.617 175.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 92.1 mmm -70.79 -32.08 69.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.433 178.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -65.37 -38.01 88.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.118 0.485 . . . . 0.0 110.163 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 49' ' ' SER . 40.8 mtmt -73.27 -12.42 60.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.346 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 69.0 mtm -115.68 -161.04 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.968 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.74 -140.19 4.13 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.737 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -79.16 130.46 9.29 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.878 2.386 . . . . 0.0 112.978 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 59.57 94.15 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.403 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.506 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -79.23 163.8 24.83 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.74 2.293 . . . . 0.0 111.871 175.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.459 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 18.5 Cg_endo -61.31 139.34 82.44 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.731 2.288 . . . . 0.0 112.453 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.27 -42.78 99.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.885 -176.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.432 ' CE1' ' HB3' ' B' ' 38' ' ' ASP . 20.5 p80 -59.3 -30.23 68.18 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.138 0.494 . . . . 0.0 110.268 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.782 HH22 ' HB3' ' A' ' 50' ' ' GLN . 67.5 ttt-85 -74.49 -41.59 60.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.142 -177.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.02 -38.48 91.24 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 174.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 64' ' ' ARG . 30.6 ttp180 -57.06 -40.92 77.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.47 174.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.96 67.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.439 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 91.1 mmm -58.34 -31.83 67.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.749 -177.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.418 ' HA ' ' CE2' ' A' ' 9' ' ' TRP . 7.6 t30 -50.05 -56.73 9.63 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.476 0.485 . . . . 0.0 111.577 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.4 m -71.74 -28.47 63.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.443 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.26 -52.29 65.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 110.672 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.437 ' HE1' ' HA ' ' A' ' 19' ' ' THR . 18.8 ttt -64.4 -40.94 96.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.691 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.2 75.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.424 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.14 -34.41 76.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 -177.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.83 -55.93 28.1 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 123.08 0.238 . . . . 0.0 110.867 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.451 ' O ' HG22 ' A' ' 78' ' ' VAL . 53.5 t -56.19 -44.04 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.026 0.441 . . . . 0.0 110.643 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.31 -50.35 73.96 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.808 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.52 ' HB3' HG22 ' B' ' 68' ' ' THR . 3.1 pp20? -68.85 -28.82 67.06 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.604 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.621 HG11 ' HB3' ' A' ' 36' ' ' GLN . 24.3 t -61.41 -46.93 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 172.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 74' ' ' VAL . 95.4 t -63.22 -39.67 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.777 0.322 . . . . 0.0 110.544 176.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.81 2.89 9.08 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.89 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.419 ' HB ' ' HG2' ' A' ' 36' ' ' GLN . 40.4 m -86.7 -13.05 46.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.473 0.654 . . . . 0.0 109.775 174.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.408 ' HB2' ' HA ' ' A' ' 86' ' ' TYR . 3.2 m -73.2 145.55 85.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.684 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.8 155.92 60.9 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.111 1.874 . . . . 0.0 109.664 170.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -56.85 -35.85 98.49 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.372 2.048 . . . . 0.0 112.098 -172.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -69.32 -18.72 63.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.188 -0.914 . . . . 0.0 112.291 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 t -119.33 -3.5 10.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.963 0.411 . . . . 0.0 110.64 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.408 ' HA ' ' HB2' ' A' ' 81' ' ' SER . 38.4 t80 -60.97 -47.79 84.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.191 -177.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -62.82 -41.06 99.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.75 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.14 -49.48 77.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 81.5 t -65.44 -42.39 93.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.48 -52.32 66.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.453 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -57.73 -38.76 75.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.763 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.0 m -63.04 -59.24 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.626 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 93' ' ' ILE . 0.7 OUTLIER -58.41 -44.15 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 -178.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.46 -41.4 88.26 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.084 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.73 -40.34 72.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.716 0.293 . . . . 0.0 110.841 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.6 m -59.32 -44.05 92.61 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.024 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.912 ' HG ' ' HE2' ' A' ' 18' ' ' MET . 7.6 mp -54.07 -44.12 70.87 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.712 0.291 . . . . 0.0 111.551 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -60.16 -49.17 78.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.128 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -72.9 -42.03 64.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.08 -176.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.3 m -58.4 -35.89 72.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.038 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.522 ' HE1' HG12 ' A' ' 8' ' ' ILE . 9.7 mmt -64.27 -44.33 92.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.805 177.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 29.7 ttm -69.61 -30.07 67.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -80.39 -13.26 59.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.791 0.329 . . . . 0.0 110.922 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.46 -57.95 2.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.784 0.326 . . . . 0.0 111.227 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.444 HG22 ' CG2' ' A' ' 8' ' ' ILE . 82.5 p -109.79 -18.77 13.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.035 0.445 . . . . 0.0 111.293 -175.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.61 5.0 65.26 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.429 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 101' ' ' MET . 32.1 p -141.72 149.99 41.22 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.2 t -96.78 111.84 27.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.765 0.317 . . . . 0.0 110.678 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -81.82 124.85 30.03 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -89.66 -27.61 20.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.976 -175.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.78 -48.39 81.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.794 0.331 . . . . 0.0 110.94 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -69.48 -52.82 23.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.386 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.526 ' HA ' HD23 ' A' ' 97' ' ' LEU . 23.6 m -53.92 -43.45 69.76 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.9 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.538 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 56.9 t30 -69.48 -42.34 74.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.613 0.244 . . . . 0.0 110.754 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.98 -43.58 95.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.95 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.509 ' HA ' HD13 ' A' ' 119' ' ' LEU . 90.8 t -59.34 -36.62 64.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 120.883 0.373 . . . . 0.0 110.777 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.548 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 27.2 mmt -69.89 -31.77 69.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.21 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 25.7 mm-40 -78.51 -42.14 30.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.275 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 13.9 mt -54.92 -51.76 65.04 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.734 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.19 -39.27 84.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.609 -174.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 117' ' ' MET . 55.3 mtpt -62.56 -41.8 99.15 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 110.745 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.478 ' HE1' HD22 ' B' ' 119' ' ' LEU . 45.6 ttp -67.68 -39.94 84.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.709 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 91.4 mt -66.85 -40.83 88.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.1 t . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -177.814 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.589 HG12 ' HE3' ' B' ' 101' ' ' MET . 27.2 pt . . . . . 0 N--CA 1.463 0.207 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -81.3 46.85 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.142 0.496 . . . . 0.0 111.736 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.5 p -91.22 -21.68 21.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.347 0.594 . . . . 0.0 109.74 172.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.459 ' HA ' ' HD3' ' B' ' 12' ' ' PRO . 45.9 m-80 -133.8 132.36 21.54 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.533 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' B' ' 11' ' ' ASN . 16.6 Cg_exo -64.26 -50.02 3.13 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.794 2.329 . . . . 0.0 112.812 -173.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.07 -27.71 61.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.736 -175.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.73 -45.43 78.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.993 0.425 . . . . 0.0 110.446 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.14 -34.21 70.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.052 0.453 . . . . 0.0 110.396 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 46.1 ttm -55.34 -31.89 62.09 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.457 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 48.1 m -62.59 -34.83 77.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.967 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.836 ' SD ' ' HE2' ' B' ' 101' ' ' MET . 7.5 ttt -65.84 -43.66 87.82 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 175.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -44.85 94.35 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.957 -178.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -68.52 -42.71 78.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -64.9 -29.58 70.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.223 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' B' ' 18' ' ' MET . 37.5 mt -63.19 -45.74 90.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.747 0.308 . . . . 0.0 110.651 175.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.19 -41.12 91.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.123 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -62.84 -42.74 99.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.542 176.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . 0.58 ' HA ' ' CD ' ' B' ' 28' ' ' ARG . 34.3 t -66.79 -36.59 82.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.05 0.452 . . . . 0.0 110.783 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.487 ' HB2' HD12 ' B' ' 32' ' ' LEU . . . -70.47 -38.23 74.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.255 0.55 . . . . 0.0 110.987 176.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 32.8 t -71.8 -31.81 66.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.866 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.58 ' CD ' ' HA ' ' B' ' 25' ' ' CYS . 1.8 ptm180 -81.1 -19.76 42.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.729 0.3 . . . . 0.0 110.7 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.6 p -88.51 -48.42 7.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.821 0.343 . . . . 0.0 110.734 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.0 20.15 73.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.708 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.567 HG11 HD13 ' B' ' 32' ' ' LEU . 10.7 p -86.8 -21.08 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.979 0.419 . . . . 0.0 110.583 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.622 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.9 mp -86.22 152.71 22.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.329 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 80.7 p -90.65 178.29 6.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.407 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.37 -30.52 68.47 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.028 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.62 -64.51 0.92 Allowed 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.772 0.796 . . . . 0.0 109.195 173.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.622 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 40.8 mt-30 -61.25 -41.37 96.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 113.975 -1.466 . . . . 0.0 111.978 -171.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 82.8 mmm -65.89 -33.06 74.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -176.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.432 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 33.9 t70 -78.76 -36.49 42.96 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.21 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.474 ' HA ' ' HG2' ' B' ' 42' ' ' MET . 67.6 m-20 -66.2 -40.64 90.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.929 176.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.591 ' HG2' HG12 ' B' ' 77' ' ' VAL . 61.1 mmm -60.98 -41.67 96.91 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.192 0.52 . . . . 0.0 110.097 172.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.8 -49.15 78.92 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.192 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.582 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 12.8 ptt? -70.42 -20.98 62.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.106 -0.237 . . . . 0.0 110.881 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' MET . . . . . 0.405 ' HB3' ' O ' ' B' ' 40' ' ' MET . 45.3 ttp -62.3 -53.41 55.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 173.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.3 98.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.754 175.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.582 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 21.2 t70 -54.74 -43.02 72.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.346 177.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 32.4 t -60.47 -48.71 80.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.636 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.48 -46.48 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.591 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -62.04 -48.33 80.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.121 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 49.7 p -66.26 -37.0 84.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.14 -175.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -61.77 -31.55 71.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.522 0.201 . . . . 0.0 111.25 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.411 ' SD ' ' HB2' ' B' ' 12' ' ' PRO . 37.2 mtp -72.56 -26.65 61.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 176.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -86.15 -27.47 24.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' B' ' 49' ' ' SER . 6.5 mmmm -63.79 -39.17 93.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.485 173.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 63.3 mtm -92.44 178.37 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.03 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -118.42 -138.71 5.97 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 176.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.78 147.92 31.7 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.384 2.056 . . . . 0.0 112.191 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 64.47 89.39 0.1 Allowed Pre-proline 0 N--CA 1.466 0.372 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.359 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -86.28 158.53 9.7 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.873 2.382 . . . . 0.0 112.837 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.461 ' HG2' ' CB ' ' B' ' 62' ' ' ARG . 67.4 Cg_endo -76.55 136.81 17.74 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 123.472 2.782 . . . . 0.0 112.638 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -70.59 -39.34 73.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.455 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.454 ' HD1' ' CG ' ' A' ' 39' ' ' ASP . 22.6 p80 -62.33 -28.11 69.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.603 0.24 . . . . 0.0 110.915 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.587 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 14.9 ttm180 -70.94 -37.41 72.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.21 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.44 -37.94 89.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -60.99 -39.1 88.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.906 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.2 -46.67 40.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.143 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 94.6 mmm -59.73 -31.78 69.94 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.313 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -50.82 -54.19 25.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.165 0.507 . . . . 0.0 110.645 175.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.52 HG22 ' HB3' ' A' ' 76' ' ' GLU . 8.0 m -74.78 -30.88 61.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.868 -177.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . 0.491 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -59.82 -56.95 15.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.383 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.7 ttt -57.74 -44.03 85.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.044 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.81 92.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.382 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.432 ' HA ' HD12 ' B' ' 119' ' ' LEU . . . -70.94 -33.94 70.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.093 -178.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 44.3 mt-10 -61.38 -52.13 65.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.622 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.47 ' O ' HG21 ' B' ' 78' ' ' VAL . 52.3 t -54.52 -44.91 70.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.109 0.48 . . . . 0.0 110.592 176.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.22 -48.15 82.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.757 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -69.52 -28.38 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.728 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.591 HG12 ' HG2' ' B' ' 40' ' ' MET . 35.2 t -62.08 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 173.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.47 HG21 ' O ' ' B' ' 74' ' ' VAL . 61.0 t -62.88 -40.18 87.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.081 0.467 . . . . 0.0 110.507 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.23 -4.19 27.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.841 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 87.2 m -80.57 -28.83 37.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 110.964 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 31.3 p -74.5 148.8 85.96 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.964 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -60.06 162.07 17.53 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.203 2.602 . . . . 0.0 111.86 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -52.21 -41.1 67.63 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.941 2.427 . . . . 0.0 113.109 -172.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -71.39 -17.27 62.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.49 -175.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 25.9 t -112.33 -8.83 13.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.717 0.294 . . . . 0.0 110.641 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -56.79 -56.53 20.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.731 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -65.54 -35.67 81.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.622 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.1 -47.92 82.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.912 0.387 . . . . 0.0 111.07 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 88.1 t -67.4 -41.95 86.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.092 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -58.49 -50.43 73.77 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.657 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -56.48 -40.77 75.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.579 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.1 m -66.54 -54.05 27.99 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.692 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -59.05 -41.92 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.995 179.567 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.01 -39.57 79.7 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.332 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.83 -37.2 56.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.956 0.408 . . . . 0.0 110.475 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 87.4 m -60.97 -38.33 85.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.605 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.558 ' HG ' ' HE3' ' B' ' 18' ' ' MET . 7.9 mp -60.54 -44.14 96.42 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.811 177.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -59.75 -47.5 85.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.581 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -65.51 -50.87 63.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.225 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.3 m -55.06 -41.22 71.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.571 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.836 ' HE2' ' SD ' ' B' ' 18' ' ' MET . 11.5 mmt -60.26 -45.33 93.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.027 0.441 . . . . 0.0 110.69 177.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.465 ' HE1' HG22 ' B' ' 108' ' ' VAL . 23.2 ttm -66.61 -32.96 74.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.228 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -81.39 -22.29 38.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.845 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.78 -64.32 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.901 0.381 . . . . 0.0 111.255 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.422 HG22 ' CG2' ' B' ' 8' ' ' ILE . 63.5 p -97.6 -31.76 12.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.438 -176.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.01 7.27 38.59 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -174.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' B' ' 101' ' ' MET . 14.0 p -143.05 150.0 38.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.465 HG22 ' HE1' ' B' ' 102' ' ' MET . 64.1 t -97.56 110.3 25.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.708 0.29 . . . . 0.0 110.806 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -78.82 133.44 37.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.953 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.46 -31.78 15.14 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.078 -177.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.5 63.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.787 0.327 . . . . 0.0 111.417 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -68.1 -49.09 63.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.321 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.532 ' HA ' HD23 ' B' ' 97' ' ' LEU . 22.9 m -58.7 -36.21 73.87 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.773 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -73.79 -41.21 62.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.6 0.238 . . . . 0.0 110.883 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.82 -44.69 93.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -176.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.452 HG23 HD22 ' B' ' 97' ' ' LEU . 69.3 t -60.89 -35.59 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.834 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.523 ' HA ' ' HE2' ' B' ' 117' ' ' MET . 28.5 mmt -69.2 -28.6 66.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.69 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -80.41 -44.72 18.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.886 0.374 . . . . 0.0 110.258 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.478 HD22 ' HE1' ' A' ' 122' ' ' MET . 16.5 mt -55.07 -48.94 72.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.062 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 8.4 p -66.05 -41.21 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.052 -174.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -68.45 -34.54 76.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.905 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.469 ' HE1' HD22 ' A' ' 119' ' ' LEU . 45.7 ttp -69.52 -38.34 77.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.46 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' B' ' 119' ' ' LEU . 92.1 mt -70.68 -24.01 62.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.169 0.509 . . . . 0.0 110.811 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 46.0 m -103.24 10.15 37.8 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.045 -178.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 121.373 0.606 . . . . 0.0 111.319 -176.592 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.475 HD11 ' SD ' ' A' ' 101' ' ' MET . 5.6 pt . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 120.889 0.376 . . . . 0.0 111.425 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -82.49 25.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.623 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.458 HG22 ' ND2' ' A' ' 11' ' ' ASN . 11.1 t -75.7 -21.36 57.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 171.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.458 ' ND2' HG22 ' A' ' 10' ' ' THR . 47.9 m-80 -134.9 114.0 11.79 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.177 -0.919 . . . . 0.0 108.561 171.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -65.28 -28.49 55.36 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.807 2.338 . . . . 0.0 112.628 -174.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -72.28 -37.94 68.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.752 0.311 . . . . 0.0 110.222 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.14 82.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.118 0.485 . . . . 0.0 110.164 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.443 ' HA ' ' CD1' ' A' ' 8' ' ' ILE . . . -64.97 -41.76 95.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.107 175.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 46.8 ttm -63.02 -28.95 70.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.559 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.6 m -62.34 -40.69 97.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.931 176.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.873 ' HE2' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -63.51 -41.42 98.52 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.105 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.52 -44.78 95.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.054 178.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -72.37 -37.19 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.338 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -62.05 -36.28 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.83 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.5 mt -59.34 -45.12 92.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.708 0.289 . . . . 0.0 110.919 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.8 t -62.91 -41.88 94.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.519 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -67.17 -36.15 81.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.893 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.521 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 39.4 t -68.57 -37.91 80.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.248 0.546 . . . . 0.0 110.335 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.87 -34.39 73.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.772 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.7 t -72.13 -35.82 69.22 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.054 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.521 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 3.5 ptp180 -75.23 -27.85 59.67 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.93 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.435 ' HB2' HG22 ' A' ' 31' ' ' VAL . 28.5 p -81.89 -54.69 5.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.635 0.255 . . . . 0.0 110.555 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.25 28.36 60.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.66 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.435 HG22 ' HB2' ' A' ' 29' ' ' SER . 12.2 t -81.83 -22.32 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.481 0.658 . . . . 0.0 109.92 177.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 32' ' ' LEU . 4.5 mp -94.68 158.7 15.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.517 -175.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.5 p -82.99 172.82 12.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.529 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.96 98.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.629 0.252 . . . . 0.0 111.409 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.89 -37.28 86.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 0.0 110.338 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -69.73 -40.34 76.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.714 177.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 82.9 mmm -66.44 -40.22 89.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.08 0.467 . . . . 0.0 110.843 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.61 -30.51 69.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.022 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' OD1' ' HE3' ' A' ' 42' ' ' MET . 7.1 t0 -65.36 -46.57 79.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.62 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.537 ' O ' ' HB3' ' A' ' 43' ' ' MET . 89.0 mtp -66.93 -33.16 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.394 176.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.39 -46.63 93.47 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.164 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.587 ' HE1' ' HA ' ' B' ' 62' ' ' ARG . 11.7 ptt? -75.88 -15.3 60.23 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.303 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.537 ' HB3' ' O ' ' A' ' 40' ' ' MET . 47.7 ttp -62.0 -51.63 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 171.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.78 84.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.057 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.494 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 19.4 t70 -61.62 -48.06 82.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.706 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 p -64.68 -32.61 74.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 111.416 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.45 HG21 ' O ' ' A' ' 43' ' ' MET . 45.9 t -70.02 -42.16 79.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.942 0.401 . . . . 0.0 110.295 174.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -72.66 -42.1 64.7 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.381 -174.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.42 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 8.3 p -62.21 -38.46 89.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -175.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.53 ' HB2' ' NH2' ' A' ' 62' ' ' ARG . 48.0 mt-30 -68.04 -28.28 67.25 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.774 178.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 91.0 mmm -67.64 -31.56 71.64 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 176.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -77.02 -24.57 52.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.033 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' B' ' 49' ' ' SER . 7.8 mtpm? -78.15 -17.9 56.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.734 175.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 69.4 mtm -113.77 -164.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.501 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -138.4 -153.28 6.17 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.863 -0.685 . . . . 0.0 112.292 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.44 129.97 26.91 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 123.125 2.55 . . . . 0.0 112.366 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 54.56 80.55 0.29 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.247 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -68.15 161.7 43.31 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.784 2.323 . . . . 0.0 111.646 175.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.436 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 14.4 Cg_endo -57.42 118.61 5.51 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.574 2.182 . . . . 0.0 111.472 177.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -58.7 -29.62 66.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.83 -174.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.811 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 9.6 p80 -67.62 -26.83 66.44 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.127 0.489 . . . . 0.0 110.562 178.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.601 ' O ' ' HG2' ' A' ' 66' ' ' MET . 3.2 tmt_? -67.28 -34.96 78.5 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 173.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.6 mp -69.9 -37.14 75.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.156 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.811 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 32.8 ptt180 -63.3 -39.74 95.43 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.21 84.15 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.821 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.601 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 97.1 mmm -69.18 -28.96 66.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.208 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -58.36 -48.58 80.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.135 0.493 . . . . 0.0 110.041 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.51 HG22 ' HB3' ' B' ' 72' ' ' ALA . 11.6 m -71.11 -36.41 72.15 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.709 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -62.59 -55.2 29.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.185 178.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.9 ttt -55.74 -44.48 77.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.103 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.413 ' HB1' HG21 ' A' ' 116' ' ' VAL . . . -61.97 -41.98 98.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.087 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.505 ' HB3' HG23 ' B' ' 68' ' ' THR . . . -72.55 -32.1 65.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.263 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.549 ' O ' HG21 ' A' ' 77' ' ' VAL . 49.1 mt-10 -62.2 -48.3 80.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.401 177.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.41 -45.39 93.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.998 0.428 . . . . 0.0 110.648 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 120' ' ' VAL . . . -59.94 -40.95 90.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.698 179.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.608 ' HG3' ' HA ' ' B' ' 65' ' ' ALA . 1.3 tm-20 -58.46 -49.09 78.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.58 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.549 HG21 ' O ' ' A' ' 73' ' ' GLU . 78.3 t -56.61 -47.45 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.427 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.89 -37.58 68.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.777 -176.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.44 -16.46 63.49 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -174.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.2 m -83.0 -7.26 59.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.119 0.485 . . . . 0.0 111.234 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.3 m -68.63 153.64 95.57 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.683 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.597 ' HD2' ' HB3' ' A' ' 85' ' ' SER . 44.9 Cg_exo -57.72 161.75 11.96 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.976 2.451 . . . . 0.0 111.22 177.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -61.51 -33.93 86.6 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.149 1.899 . . . . 0.0 111.865 -171.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -90.55 -24.6 20.56 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.733 -176.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.597 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 19.7 t -92.69 -16.93 24.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.241 0.543 . . . . 0.0 110.222 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -54.24 -46.11 72.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.195 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.6 t -64.43 -37.11 86.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.02 -50.2 62.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.952 0.406 . . . . 0.0 110.749 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 63.9 t -62.4 -42.3 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.457 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.73 -49.42 77.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.623 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -59.33 -37.6 78.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.533 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.4 m -64.96 -55.22 20.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.745 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -61.13 -41.91 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.986 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.75 -41.06 82.08 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.379 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.84 -38.66 67.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.76 0.314 . . . . 0.0 110.612 177.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 99.0 m -59.17 -44.59 92.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.558 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.873 ' HG ' ' HE2' ' A' ' 18' ' ' MET . 8.5 mp -55.2 -41.23 71.69 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.665 0.269 . . . . 0.0 111.577 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.541 ' HG3' HG21 ' A' ' 108' ' ' VAL . 54.4 ttt-85 -62.5 -53.63 51.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.858 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -65.79 -45.73 81.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.871 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.8 m -57.92 -37.3 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.671 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.516 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 10.3 mmt -64.37 -44.76 90.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.772 0.32 . . . . 0.0 110.432 177.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 26.3 ttm -68.12 -31.8 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.058 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -82.57 -13.68 56.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.821 0.344 . . . . 0.0 110.895 177.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.01 -65.26 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.045 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.401 HG22 ' HB ' ' A' ' 8' ' ' ILE . 76.4 p -95.03 -22.0 18.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.057 0.456 . . . . 0.0 111.263 -175.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 102.61 -1.15 49.21 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.4 -175.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.0 m -146.03 157.47 43.86 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.541 HG21 ' HG3' ' A' ' 98' ' ' ARG . 7.6 p -107.33 125.39 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.491 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -87.84 146.49 25.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.769 173.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -105.08 -15.35 15.11 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.236 -177.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.17 -51.8 41.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.655 0.264 . . . . 0.0 110.595 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -66.04 -48.73 70.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.068 0.461 . . . . 0.0 109.946 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.519 ' HA ' HD21 ' A' ' 97' ' ' LEU . 12.1 m -54.33 -44.81 72.38 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.677 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -69.51 -41.62 75.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.333 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -59.24 -45.17 91.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.427 ' HA ' HD12 ' A' ' 119' ' ' LEU . 67.6 t -61.16 -37.94 78.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.719 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.583 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 24.6 mmt -63.26 -34.85 78.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.769 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -73.74 -45.93 48.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.053 0.454 . . . . 0.0 110.161 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.55 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 13.6 mt -55.05 -52.9 61.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.553 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.409 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 13.5 p -63.12 -35.56 72.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.802 -173.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -75.32 -36.85 61.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.768 0.318 . . . . 0.0 110.458 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.498 ' HE1' HD23 ' B' ' 119' ' ' LEU . 37.0 ttp -68.58 -36.2 78.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.372 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 84.0 mt -62.59 -22.03 66.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.823 0.344 . . . . 0.0 111.246 -178.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.324 -0.513 0 CA-C-O 120.935 0.398 . . . . 0.0 110.201 -179.866 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.57 ' HB ' HG22 ' B' ' 105' ' ' THR . 2.6 pp . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -72.63 83.07 1.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.846 0.832 . . . . 0.0 111.271 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.8 m -150.08 -34.68 0.17 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.368 174.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.462 ' HB2' ' HB2' ' B' ' 14' ' ' ALA . 58.6 m-20 -95.31 109.6 45.98 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.694 173.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.32 -45.18 15.88 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.573 2.182 . . . . 0.0 113.233 -170.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -79.88 -25.77 40.53 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.779 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.462 ' HB2' ' HB2' ' B' ' 11' ' ' ASN . . . -67.71 -41.64 83.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.953 0.406 . . . . 0.0 109.94 173.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.04 -37.94 87.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.226 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 42.3 ttm -64.17 -28.56 69.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.728 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.5 m -63.46 -36.72 84.67 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 176.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 1.038 ' HE3' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -64.39 -45.66 86.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.068 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.401 ' HA ' ' HE2' ' B' ' 70' ' ' MET . 0.9 OUTLIER -59.79 -42.4 93.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.538 177.831 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -65.63 -50.04 66.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.485 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.15 -33.59 72.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.374 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 24.8 mt -59.29 -51.4 70.12 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.64 0.257 . . . . 0.0 110.439 175.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.34 -43.92 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.602 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.473 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 45.9 mt-30 -59.74 -49.17 78.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.719 0.295 . . . . 0.0 110.577 177.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 37.7 t -62.89 -42.75 99.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -178.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.402 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -68.15 -38.54 82.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.173 0.511 . . . . 0.0 111.354 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' SER . . . . . 0.521 ' HB2' ' HE2' ' B' ' 37' ' ' MET . 26.1 t -70.38 -39.15 74.73 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.951 -178.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 16.0 ptp180 -83.27 -17.43 42.63 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.453 -178.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 26.4 p -79.1 -39.98 32.31 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 171.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.42 27.53 71.27 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.637 174.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 t -84.51 -22.22 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.444 0.64 . . . . 0.0 109.528 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.45 HD11 ' N ' ' B' ' 32' ' ' LEU . 5.0 mp -100.98 153.5 19.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.238 -177.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 63.3 p -84.29 170.61 13.5 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.249 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.06 -29.19 70.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.871 0.367 . . . . 0.0 110.705 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -59.45 -53.8 53.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.391 174.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.567 ' HB3' HG11 ' B' ' 77' ' ' VAL . 51.8 mt-30 -65.1 -43.99 90.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.127 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' MET . . . . . 0.521 ' HE2' ' HB2' ' B' ' 27' ' ' SER . 80.3 mmm -64.02 -31.57 72.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.657 -178.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.503 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 2.5 t70 -74.13 -35.31 64.1 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -48.36 77.18 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.936 171.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' B' ' 43' ' ' MET . 89.3 mtp -66.41 -36.79 83.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.139 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.41 -44.19 97.98 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.624 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.422 ' HE2' ' HB3' ' B' ' 42' ' ' MET . 11.0 tmm? -64.15 -33.81 76.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.962 0.41 . . . . 0.0 110.548 176.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' MET . . . . . 0.439 ' O ' HG23 ' B' ' 47' ' ' VAL . 42.8 ttp -58.8 -47.31 85.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.503 177.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.88 94.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.467 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.12 -39.51 82.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.898 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.7 p -65.77 -36.22 82.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 43' ' ' MET . 43.1 t -69.19 -39.13 78.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.168 0.508 . . . . 0.0 109.881 173.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -69.36 -47.93 62.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.304 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.424 ' HB3' ' HE3' ' A' ' 53' ' ' LYS . 7.0 p -59.13 -43.54 92.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.74 -173.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.566 ' HB2' ' NH2' ' B' ' 62' ' ' ARG . 48.3 mt-30 -64.39 -26.35 68.42 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.92 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 83.5 mmm -74.31 -26.5 60.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.896 0.379 . . . . 0.0 110.624 178.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -80.15 -31.6 38.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.29 0.567 . . . . 0.0 109.544 175.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -73.88 -32.86 63.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.392 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 73.0 mtm -91.29 178.81 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.397 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.27 -138.87 4.67 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.196 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.0 126.17 13.48 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.62 2.213 . . . . 0.0 112.56 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 60.64 89.59 0.1 Allowed Pre-proline 0 N--CA 1.467 0.423 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.93 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.69 163.84 31.09 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.96 2.44 . . . . 0.0 111.699 176.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' B' ' 62' ' ' ARG . 20.6 Cg_endo -63.01 135.64 52.38 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.396 2.064 . . . . 0.0 112.007 177.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . 0.413 ' HA ' HE21 ' B' ' 60' ' ' GLN . 0.0 OUTLIER -60.29 -36.44 77.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.796 -176.468 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.825 ' HA ' ' HG2' ' B' ' 64' ' ' ARG . 13.8 p80 -65.66 -21.78 66.58 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.116 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.587 ' HA ' ' HE1' ' A' ' 42' ' ' MET . 2.3 tmt_? -65.32 -33.98 77.26 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 94.3 mt -74.06 -42.2 60.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.84 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 0.825 ' HG2' ' HA ' ' B' ' 61' ' ' HIS . 39.2 ptt85 -66.45 -33.32 75.43 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.409 -178.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.608 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . . . -76.63 -45.83 28.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 98.8 mmm -65.58 -24.28 67.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.427 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -54.63 -55.99 23.77 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.547 172.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.505 HG23 ' HB3' ' A' ' 72' ' ' ALA . 17.0 m -72.15 -34.24 68.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.791 -178.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -61.06 -55.33 33.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.793 178.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' MET . . . . . 0.401 ' HE2' ' HA ' ' B' ' 19' ' ' THR . 18.8 ttt -55.89 -45.46 78.6 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.954 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.82 99.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.28 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.51 ' HB3' HG22 ' A' ' 68' ' ' THR . . . -68.78 -38.04 79.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.453 -178.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.523 ' O ' HG21 ' B' ' 77' ' ' VAL . 49.0 mt-10 -62.82 -45.26 93.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.456 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.442 ' O ' HG21 ' B' ' 78' ' ' VAL . 51.3 t -59.65 -43.81 92.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.664 0.269 . . . . 0.0 110.639 175.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.41 95.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.04 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -59.28 -47.94 83.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.934 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' B' ' 36' ' ' GLN . 97.5 t -60.02 -43.16 91.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.485 -179.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.442 HG21 ' O ' ' B' ' 74' ' ' VAL . 69.5 t -69.9 -42.61 79.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.116 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.51 91.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.2 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 24.5 m -79.46 76.14 6.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.33 0.585 . . . . 0.0 110.575 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 77.8 p -154.65 161.42 29.42 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.61 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.79 139.61 86.26 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.121 1.881 . . . . 0.0 111.0 175.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.97 -19.65 66.74 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.585 2.19 . . . . 0.0 112.273 -173.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . 0.434 ' NE2' ' HB2' ' B' ' 85' ' ' SER . 4.7 pp0? -80.67 -17.96 49.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.447 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.434 ' HB2' ' NE2' ' B' ' 84' ' ' GLN . 10.7 t -118.29 -4.34 10.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.967 -177.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -56.1 -48.37 76.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.652 0.263 . . . . 0.0 110.717 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 32.5 t -61.22 -38.13 85.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.96 -51.73 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.729 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.37 -44.02 91.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.46 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.1 -51.43 70.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.357 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -63.4 -37.08 85.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.712 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.6 m -62.35 -54.72 36.34 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.272 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . 0.471 HD11 ' HA ' ' B' ' 93' ' ' ILE . 0.7 OUTLIER -60.03 -45.08 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.675 178.674 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.54 -44.15 85.73 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.189 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.14 -42.63 75.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.646 0.26 . . . . 0.0 110.748 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 86.7 m -61.42 -34.91 76.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.293 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 1.038 ' HG ' ' HE3' ' B' ' 18' ' ' MET . 3.9 mp -58.09 -46.35 85.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.66 0.267 . . . . 0.0 111.227 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -58.94 -48.7 80.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -65.6 -47.45 75.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.722 -177.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 46.5 m -54.12 -46.49 72.18 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.257 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.494 ' SD ' ' HG3' ' B' ' 18' ' ' MET . 16.6 mmt -63.67 -45.02 92.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 111.017 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 22.0 ttm -65.93 -31.33 72.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.416 -176.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -89.7 -13.19 37.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.602 0.239 . . . . 0.0 111.463 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -94.56 -45.66 7.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.006 0.432 . . . . 0.0 111.264 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.57 HG22 ' HB ' ' B' ' 8' ' ' ILE . 62.6 p -108.4 -40.02 5.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.968 0.413 . . . . 0.0 111.142 -177.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 125.07 -7.12 8.17 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 49.9 m -150.45 159.3 44.58 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 3.0 p -88.82 114.92 27.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.206 0.527 . . . . 0.0 111.077 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -68.27 106.32 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.016 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -75.78 -28.14 58.29 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.854 -175.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.41 86.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.008 0.432 . . . . 0.0 110.619 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . 0.425 ' O ' HG21 ' B' ' 116' ' ' VAL . 78.1 t80 -69.41 -50.75 42.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.286 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.545 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 19.3 m -56.45 -40.01 74.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.994 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -68.19 -44.49 75.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.785 0.326 . . . . 0.0 110.549 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.78 -45.62 93.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.158 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.425 HG21 ' O ' ' B' ' 112' ' ' PHE . 91.5 t -57.34 -37.89 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 111.24 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.547 ' HA ' ' HE3' ' B' ' 117' ' ' MET . 30.0 mmt -68.12 -34.2 75.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.783 -178.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -78.76 -37.42 41.14 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.412 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.498 HD23 ' HE1' ' A' ' 122' ' ' MET . 12.6 mt -56.48 -48.9 76.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.204 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.57 -33.79 58.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.509 -175.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' B' ' 117' ' ' MET . 53.2 mtpt -79.5 -25.5 41.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.522 0.201 . . . . 0.0 110.986 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.469 ' HE2' HD23 ' A' ' 119' ' ' LEU . 42.6 ttp -67.93 -37.86 82.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.961 0.41 . . . . 0.0 110.058 175.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.04 -18.31 61.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.273 0.559 . . . . 0.0 109.993 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 21.5 t -104.2 14.77 29.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.4 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 121.594 0.711 . . . . 0.0 111.373 -175.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.522 ' CG2' HG22 ' A' ' 105' ' ' THR . 9.1 pt . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -81.44 22.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.9 m -74.49 -26.42 59.99 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 173.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -128.57 131.98 24.08 Favored Pre-proline 0 C--O 1.233 0.222 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.11 175.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -69.82 -34.04 15.19 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.78 2.32 . . . . 0.0 113.045 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -81.97 -30.49 31.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.982 0.42 . . . . 0.0 109.96 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.71 -48.26 80.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.469 175.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.499 ' HA ' HD13 ' A' ' 8' ' ' ILE . . . -65.64 -34.81 79.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.99 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.0 ttm -57.09 -31.26 65.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.279 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.6 m -61.9 -36.72 82.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.041 0.448 . . . . 0.0 110.396 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.409 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -67.73 -39.82 84.24 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.421 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.449 ' HA ' ' HE1' ' A' ' 70' ' ' MET . 0.8 OUTLIER -63.72 -45.58 89.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.587 177.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.453 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 93.7 m-20 -60.05 -47.08 87.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.857 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -61.2 -37.55 83.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.754 -178.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.73 HD23 HD11 ' A' ' 97' ' ' LEU . 31.5 mt -60.91 -42.12 97.46 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.674 0.274 . . . . 0.0 111.206 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.27 -38.42 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.925 0.393 . . . . 0.0 110.244 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.497 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 25.1 mt-30 -64.7 -47.52 78.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.071 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.438 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 29.7 p -71.75 -34.66 69.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.704 0.288 . . . . 0.0 110.762 -178.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.8 -44.7 92.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.014 0.435 . . . . 0.0 110.777 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -65.86 -31.03 71.75 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.709 -176.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 5.1 ptm180 -90.34 -7.55 53.01 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.5 p -75.36 -50.52 15.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.558 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.59 8.7 76.61 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.846 -177.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.4 t -85.61 -37.27 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.158 0.504 . . . . 0.0 110.688 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.417 ' N ' HD13 ' A' ' 32' ' ' LEU . 6.2 mp -82.8 156.05 23.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.516 -174.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.0 p -89.88 178.91 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.702 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.59 96.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.462 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -54.83 -50.89 67.49 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.97 176.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -65.7 -43.63 88.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.877 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.0 mmm -66.29 -35.83 81.39 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.486 ' OD2' ' HE1' ' B' ' 61' ' ' HIS . 33.1 t70 -70.82 -35.42 72.48 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -63.16 -48.52 78.08 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.163 0.506 . . . . 0.0 109.898 173.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.6 mmm -58.86 -40.35 84.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.524 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.06 -45.42 96.61 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.895 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.436 ' SD ' ' HD3' ' B' ' 62' ' ' ARG . 51.3 ttp -60.34 -34.91 74.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.494 0.187 . . . . 0.0 110.869 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.583 ' O ' HG22 ' A' ' 47' ' ' VAL . 45.8 ttp -59.44 -53.83 53.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.943 0.401 . . . . 0.0 110.801 178.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.72 -33.28 75.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.207 0.527 . . . . 0.0 110.519 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.36 -43.58 85.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.0 p -65.41 -39.29 91.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.981 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 43' ' ' MET . 34.5 t -58.58 -50.74 77.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.904 0.383 . . . . 0.0 109.999 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -64.77 -39.95 94.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.9 m -65.28 -45.01 86.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.308 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.642 ' OE1' ' HB3' ' B' ' 46' ' ' SER . 11.0 mt-30 -75.85 -29.53 58.62 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.456 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 47' ' ' VAL . 5.5 tmm? -56.38 -47.25 79.31 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.028 0.442 . . . . 0.0 110.04 173.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -78.71 -26.69 44.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.417 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.464 ' HB2' ' HA ' ' A' ' 50' ' ' GLN . 24.9 mtpp -61.48 -43.96 97.93 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.057 0.456 . . . . 0.0 110.429 172.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 75.0 mtm -75.14 -39.1 60.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.313 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.15 -161.17 26.45 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.248 175.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.06 134.79 30.38 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.71 2.274 . . . . 0.0 111.804 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.0 m120 57.29 73.46 0.78 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.891 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -81.62 162.69 19.1 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.46 2.107 . . . . 0.0 112.489 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.0 141.51 58.36 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.417 2.078 . . . . 0.0 111.604 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -82.73 -18.63 40.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.469 -172.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.862 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 35.0 p80 -73.38 -30.36 63.24 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.404 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.537 ' O ' ' HG2' ' A' ' 66' ' ' MET . 72.2 mtt180 -71.81 -26.12 62.28 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.246 173.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.6 mt -72.02 -38.54 69.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.674 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.862 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 11.7 ptt180 -62.17 -37.14 84.13 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.507 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -68.97 -36.9 78.41 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.875 177.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 93.3 mmm -65.12 -32.23 73.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.603 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -52.42 -61.16 2.46 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.104 0.478 . . . . 0.0 111.033 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.498 HG23 ' HB2' ' B' ' 72' ' ' ALA . 95.4 m -73.2 -23.64 60.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.98 -57.5 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 175.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.449 ' HE1' ' HA ' ' A' ' 19' ' ' THR . 20.3 ttt -57.25 -46.02 83.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.645 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.82 -46.29 91.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.622 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.505 ' HB2' HG22 ' B' ' 68' ' ' THR . . . -69.74 -34.79 74.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.441 -176.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 48.9 mt-10 -63.91 -44.59 92.5 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.472 178.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.463 HG21 ' SD ' ' A' ' 43' ' ' MET . 68.2 t -59.23 -48.09 88.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 121.067 0.46 . . . . 0.0 110.523 175.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.38 93.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.065 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.911 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 33.8 tp10 -58.95 -47.94 83.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.575 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 73' ' ' GLU . 71.5 t -54.38 -50.72 55.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.544 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.412 HG23 HG11 ' A' ' 89' ' ' VAL . 59.4 t -67.7 -43.99 86.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.821 -178.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.37 -26.01 68.28 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -176.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.516 HG23 ' HD2' ' B' ' 64' ' ' ARG . 2.7 m -96.84 28.28 3.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.499 0.666 . . . . 0.0 110.812 -177.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.464 ' HB2' ' HA ' ' A' ' 86' ' ' TYR . 32.0 m -84.68 156.05 61.79 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.464 173.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 85' ' ' SER . 37.1 Cg_exo -57.53 152.38 48.19 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 121.724 1.616 . . . . 0.0 110.159 171.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -55.12 -32.46 79.93 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.167 1.911 . . . . 0.0 111.709 -176.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -82.12 -9.94 59.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.013 -177.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.471 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 33.0 t -119.96 -14.11 8.95 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -173.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.464 ' HA ' ' HB2' ' A' ' 81' ' ' SER . 43.3 t80 -49.53 -59.99 3.26 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.217 0.532 . . . . 0.0 111.501 -178.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 m -59.54 -37.72 79.14 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.603 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.84 -47.35 72.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.979 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.412 HG11 HG23 ' A' ' 78' ' ' VAL . 61.5 t -65.2 -40.92 90.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.077 0.465 . . . . 0.0 109.954 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.11 -52.81 64.01 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.772 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -58.61 -39.01 79.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.094 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 73.1 m -61.87 -49.58 75.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.62 -178.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.446 HD11 ' HA ' ' A' ' 93' ' ' ILE . 1.5 mm -66.76 -47.11 83.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.301 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.73 -29.63 74.46 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.683 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.49 -41.6 32.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.789 0.328 . . . . 0.0 110.349 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 53.7 t -66.7 -37.68 85.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.674 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.73 HD11 HD23 ' A' ' 22' ' ' LEU . 2.3 mp -48.58 -48.78 38.73 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 111.328 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.454 ' HG3' HG23 ' A' ' 108' ' ' VAL . 61.2 ttt180 -61.21 -48.51 81.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.235 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -70.76 -44.2 67.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.058 -176.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.8 m -55.29 -42.23 73.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.425 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.519 ' HE2' HG12 ' A' ' 8' ' ' ILE . 10.0 mmt -63.81 -42.21 97.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.344 . . . . 0.0 110.941 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 32.9 ttm -72.17 -28.91 63.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.332 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -80.41 -34.19 36.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.917 0.389 . . . . 0.0 110.726 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.08 -48.95 40.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.351 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.522 HG22 ' CG2' ' A' ' 8' ' ' ILE . 62.0 p -111.96 -47.84 3.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.111 0.481 . . . . 0.0 111.332 -175.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 136.39 -14.39 3.97 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 48.9 m -139.26 156.7 46.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.472 ' HA ' ' HB3' ' A' ' 101' ' ' MET . 3.5 p -92.22 117.29 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.17 0.51 . . . . 0.0 111.223 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -79.0 135.86 37.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.214 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -93.14 -23.91 18.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.657 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.56 -45.59 89.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.612 0.244 . . . . 0.0 111.371 -174.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.412 ' O ' HG22 ' A' ' 116' ' ' VAL . 78.9 t80 -75.1 -49.88 18.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.789 0.328 . . . . 0.0 110.615 177.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.535 ' HA ' HD22 ' A' ' 97' ' ' LEU . 30.2 m -57.34 -45.35 84.39 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.504 -176.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -64.73 -43.26 93.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.964 0.411 . . . . 0.0 110.498 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -58.54 -44.31 89.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.745 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 112' ' ' PHE . 55.1 t -60.15 -38.04 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 178.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.573 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 18.9 mmt -70.52 -38.62 74.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.335 -176.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -73.21 -36.71 66.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.41 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.486 HD22 ' HE3' ' B' ' 122' ' ' MET . 15.6 mt -58.03 -51.23 70.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.883 177.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.8 -30.85 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.806 -173.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 117' ' ' MET . 66.4 mttm -66.23 -45.31 81.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.211 0.529 . . . . 0.0 109.802 175.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.479 ' HE2' HD23 ' B' ' 119' ' ' LEU . 47.8 ttp -68.71 -41.96 78.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.155 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.25 -21.57 65.28 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 111.515 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.6 t . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.275 -177.216 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.526 HG12 ' HE3' ' B' ' 101' ' ' MET . 25.1 pt . . . . . 0 C--O 1.232 0.146 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -83.45 51.93 2.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.288 0.566 . . . . 0.0 111.729 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 22.2 p -100.27 -49.45 4.26 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.36 171.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -104.46 123.8 39.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.543 175.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -65.32 -27.15 55.67 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.715 2.277 . . . . 0.0 112.44 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -72.42 -39.59 67.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.62 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.12 -45.35 73.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.891 0.377 . . . . 0.0 110.736 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.32 90.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.08 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -63.33 -30.01 71.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.812 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 86.7 m -65.28 -35.62 81.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.589 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.467 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.82 -40.57 96.93 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.277 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.466 ' HA ' ' HE1' ' B' ' 70' ' ' MET . 1.2 m -63.88 -46.05 86.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.87 178.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -66.54 -42.65 86.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.138 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -59.8 -37.14 78.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.05 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.721 HD23 HD12 ' B' ' 97' ' ' LEU . 49.0 mt -61.56 -42.23 98.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.903 177.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.51 -37.92 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.992 0.425 . . . . 0.0 110.358 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -63.35 -52.25 62.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.214 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . 0.455 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 29.3 p -68.78 -37.63 79.45 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.941 -177.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.09 -43.89 97.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.965 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' SER . . . . . 0.489 ' HB2' ' HE2' ' B' ' 37' ' ' MET . 41.2 t -65.72 -41.51 92.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.455 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 1.2 ptm180 -83.18 -6.46 59.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.762 -175.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.479 ' OG ' HG11 ' B' ' 31' ' ' VAL . 97.0 p -80.6 -42.13 22.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.132 0.491 . . . . 0.0 110.312 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.57 4.81 87.37 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.266 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.712 HG13 HD13 ' B' ' 32' ' ' LEU . 11.3 p -88.53 -22.0 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.628 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.712 HD13 HG13 ' B' ' 31' ' ' VAL . 6.5 mp -95.36 151.41 19.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 175.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 73.2 p -93.41 171.96 8.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.403 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.82 -31.78 71.17 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.725 0.298 . . . . 0.0 110.547 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.97 -58.6 7.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.815 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.574 ' HB3' HG12 ' B' ' 77' ' ' VAL . 48.7 mt-30 -60.96 -39.79 90.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' MET . . . . . 0.489 ' HE2' ' HB2' ' B' ' 27' ' ' SER . 81.4 mmm -67.05 -30.91 71.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.847 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.465 ' OD2' ' HE1' ' A' ' 61' ' ' HIS . 27.4 t70 -73.41 -36.03 65.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -66.99 -43.85 81.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.905 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.415 ' O ' ' HB3' ' B' ' 43' ' ' MET . 72.5 mmm -57.64 -42.89 84.34 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.281 0.562 . . . . 0.0 110.237 173.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.67 -40.17 97.28 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.18 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 50.9 ttp -63.37 -34.06 76.89 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-O 120.769 0.319 . . . . 0.0 110.434 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' MET . . . . . 0.487 ' O ' HG22 ' B' ' 47' ' ' VAL . 41.0 ttp -59.02 -50.3 74.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.038 0.447 . . . . 0.0 110.453 175.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.25 83.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.741 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -68.78 -43.29 76.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.619 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.642 ' HB3' ' OE1' ' A' ' 50' ' ' GLN . 12.5 p -62.29 -47.77 82.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.065 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.487 HG22 ' O ' ' B' ' 43' ' ' MET . 38.3 t -59.01 -40.92 81.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.936 0.398 . . . . 0.0 110.284 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -65.32 -47.59 76.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.422 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 53.2 m -65.19 -46.64 79.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.172 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -66.22 -32.14 73.38 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.142 -0.223 . . . . 0.0 111.182 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.408 ' HB2' ' O ' ' B' ' 47' ' ' VAL . 4.5 tmm? -57.49 -53.0 63.08 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.062 0.458 . . . . 0.0 110.623 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -73.13 -19.64 61.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.217 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -74.39 -27.92 60.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.211 173.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.5 mtm -83.41 -38.3 22.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.835 0.35 . . . . 0.0 110.632 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.67 -130.92 10.52 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.531 -0.842 . . . . 0.0 113.531 171.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.0 117.39 5.12 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 123.02 2.48 . . . . 0.0 112.989 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 15.1 m120 49.51 78.69 0.39 Allowed Pre-proline 0 N--CA 1.466 0.374 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.509 177.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -54.96 148.1 48.99 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.649 2.232 . . . . 0.0 113.792 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -69.13 123.94 10.83 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.419 2.746 . . . . 0.0 111.668 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . 0.492 ' HA ' ' CG ' ' B' ' 63' ' ' LEU . 4.2 pt20 -72.53 -6.54 44.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -176.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.814 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 33.9 p80 -75.19 -34.24 61.5 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.233 170.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.436 ' HD3' ' SD ' ' A' ' 42' ' ' MET . 72.9 mtt180 -72.68 -28.56 62.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 173.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.492 ' CG ' ' HA ' ' B' ' 60' ' ' GLN . 89.6 mt -67.0 -41.58 86.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.663 175.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 0.814 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 21.3 ptt180 -61.76 -36.72 81.85 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.911 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -68.34 -42.37 79.39 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.484 177.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.494 ' HA ' ' HB2' ' B' ' 69' ' ' ALA . 96.7 mmm -71.53 -24.52 61.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.34 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -54.11 -55.36 28.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.175 0.512 . . . . 0.0 110.218 174.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.505 HG22 ' HB2' ' A' ' 72' ' ' ALA . 84.8 m -76.33 -24.32 54.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.817 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' B' ' 73' ' ' GLU . . . -62.76 -55.27 28.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.76 0.314 . . . . 0.0 110.154 174.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' MET . . . . . 0.466 ' HE1' ' HA ' ' B' ' 19' ' ' THR . 19.5 ttt -57.78 -46.86 83.99 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.653 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.5 92.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.199 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.498 ' HB2' HG23 ' A' ' 68' ' ' THR . . . -71.4 -33.82 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.328 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' B' ' 69' ' ' ALA . 9.1 mm-40 -61.8 -50.47 72.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.682 0.277 . . . . 0.0 110.272 177.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.479 ' O ' HG21 ' B' ' 78' ' ' VAL . 88.8 t -58.28 -46.01 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.275 176.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.53 96.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.187 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.507 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 6.3 tp10 -62.69 -45.2 93.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.902 0.382 . . . . 0.0 110.23 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.574 HG12 ' HB3' ' B' ' 36' ' ' GLN . 67.7 t -59.03 -38.44 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.202 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.48 HG22 HG12 ' B' ' 89' ' ' VAL . 59.3 t -80.59 -45.07 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.407 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.24 -43.33 82.2 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 7.6 m -85.66 69.47 10.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.465 0.65 . . . . 0.0 110.185 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 15.5 m -136.93 164.17 44.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.336 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.47 144.35 73.75 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.062 1.841 . . . . 0.0 110.983 173.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.72 -16.25 53.63 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.449 2.099 . . . . 0.0 112.136 -173.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -91.18 -6.97 52.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.162 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -121.79 -15.07 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.474 -174.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -47.74 -64.68 0.72 Allowed 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 49.7 m -64.85 -26.41 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.643 -175.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.68 -48.79 63.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.001 0.429 . . . . 0.0 110.294 178.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.48 HG12 HG22 ' B' ' 78' ' ' VAL . 59.1 t -64.22 -40.74 90.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.869 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.31 -52.38 65.58 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.909 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -57.84 -39.43 77.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.035 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 59.8 m -64.28 -48.42 75.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.616 -177.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . 0.418 HD11 ' HA ' ' B' ' 93' ' ' ILE . 1.8 mm -65.78 -46.47 88.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.238 178.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.59 -39.21 96.17 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.702 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.26 -40.28 67.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.719 0.295 . . . . 0.0 110.959 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 48.9 t -69.58 -33.31 72.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.799 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.721 HD12 HD23 ' B' ' 22' ' ' LEU . 0.8 OUTLIER -50.66 -45.33 57.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.405 177.837 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.484 ' HG3' HG21 ' B' ' 108' ' ' VAL . 58.2 ttt180 -62.87 -43.04 99.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.627 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.66 -49.74 50.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 73.2 m -51.38 -43.45 61.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.644 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.526 ' HE3' HG12 ' B' ' 8' ' ' ILE . 10.7 mmt -64.97 -46.67 80.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.034 0.445 . . . . 0.0 110.912 177.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 25.4 ttm -68.96 -27.48 65.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.541 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -93.66 -6.5 46.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.566 0.222 . . . . 0.0 111.278 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.13 -48.4 5.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.771 0.319 . . . . 0.0 111.132 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.43 HG22 ' CG2' ' B' ' 8' ' ' ILE . 74.4 p -108.23 -38.3 5.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.398 0.618 . . . . 0.0 110.945 -178.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.78 -21.97 5.53 Favored Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.171 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 17.9 m -130.74 159.88 35.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.484 HG21 ' HG3' ' B' ' 98' ' ' ARG . 5.8 p -100.05 121.24 50.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.151 0.501 . . . . 0.0 111.538 -177.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.11 137.23 34.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.15 173.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -94.7 -23.06 17.73 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.356 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.83 -55.59 28.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.798 0.332 . . . . 0.0 110.738 -175.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . 0.441 ' O ' HG22 ' B' ' 116' ' ' VAL . 83.2 t80 -66.19 -44.13 84.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.335 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.525 HG23 ' HB3' ' B' ' 97' ' ' LEU . 46.6 m -59.66 -46.65 88.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.31 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -66.81 -40.41 88.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -57.45 -47.92 80.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.764 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.441 HG22 ' O ' ' B' ' 112' ' ' PHE . 58.2 t -60.0 -37.31 71.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.066 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.573 ' HA ' ' HE2' ' B' ' 117' ' ' MET . 17.7 mmt -68.71 -38.91 80.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 -177.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -75.12 -35.56 61.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.42 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.479 HD23 ' HE2' ' A' ' 122' ' ' MET . 13.3 mt -59.22 -51.71 68.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.113 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 p -65.72 -31.1 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.617 -174.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -69.38 -40.51 77.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.085 0.469 . . . . 0.0 110.337 177.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.486 ' HE3' HD22 ' A' ' 119' ' ' LEU . 47.9 ttp -72.0 -42.66 66.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.784 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.11 -27.67 69.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.818 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 32.1 t -98.93 6.26 46.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.389 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 C-N-CA 120.466 -0.494 . . . . 0.0 112.062 -178.455 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.516 HG12 ' HE2' ' A' ' 101' ' ' MET . 7.4 pt . . . . . 0 CA--C 1.534 0.339 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.43 ' HA ' ' HB1' ' A' ' 15' ' ' ALA . 60.4 m95 -80.66 10.47 4.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.871 -177.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 m -64.08 -29.94 71.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.509 0.671 . . . . 0.0 109.24 172.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -115.03 116.25 42.64 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.872 175.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -69.46 -21.15 35.31 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.832 2.354 . . . . 0.0 112.471 -174.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -85.61 -44.11 12.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.054 0.454 . . . . 0.0 109.792 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.19 -41.61 94.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.43 ' HB1' ' HA ' ' A' ' 9' ' ' TRP . . . -64.43 -40.49 95.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.389 177.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 40.9 ttm -63.24 -27.15 69.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.419 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.1 m -65.18 -40.59 94.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.268 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.428 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -62.32 -40.66 97.07 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.477 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.475 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 1.7 m -61.64 -46.34 90.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.874 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -70.31 -40.14 74.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.219 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -59.44 -36.89 76.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.619 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.808 HD23 HD11 ' A' ' 97' ' ' LEU . 40.0 mt -60.34 -48.08 83.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.784 176.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.82 -42.41 92.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.704 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -63.54 -43.42 97.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.726 177.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.504 ' HA ' ' CD ' ' A' ' 28' ' ' ARG . 19.4 t -69.21 -36.97 77.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.875 -178.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.36 -38.61 81.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.154 0.502 . . . . 0.0 110.612 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.6 t -67.81 -38.94 83.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.118 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.504 ' CD ' ' HA ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER -76.78 -17.83 58.8 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.994 -177.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 p -90.17 -49.24 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.712 0.291 . . . . 0.0 110.554 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.83 22.39 64.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.032 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.424 HG12 HG21 ' A' ' 89' ' ' VAL . 11.5 t -81.72 -25.33 9.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.238 0.542 . . . . 0.0 110.159 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.445 HD12 ' N ' ' A' ' 32' ' ' LEU . 5.8 mp -90.25 156.41 18.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.726 -176.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.8 p -86.74 178.67 6.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.734 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.06 97.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.09 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.501 ' OD1' ' HB3' ' B' ' 61' ' ' HIS . 17.8 t70 -64.99 -39.82 94.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.509 -178.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.403 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 55.1 mt-30 -66.97 -46.88 73.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 177.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 83.7 mmm -64.77 -41.74 95.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.64 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -65.71 -32.37 73.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.007 0.432 . . . . 0.0 110.207 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.74 -46.58 78.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.242 0.544 . . . . 0.0 109.816 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.433 ' HE2' ' HB3' ' A' ' 22' ' ' LEU . 43.8 mmm -59.3 -39.38 82.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.338 175.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.45 -49.01 73.26 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.576 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.4 ptt? -70.81 -23.62 62.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.962 0.381 . . . . 0.0 110.225 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 43.5 ttp -59.69 -53.57 56.5 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.082 0.468 . . . . 0.0 109.852 174.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.07 92.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.783 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.61 -37.94 89.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.3 m -60.62 -44.96 95.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.9 t -67.61 -40.96 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.341 0.591 . . . . 0.0 110.241 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.401 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 44.1 t-20 -63.25 -46.67 85.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.922 -178.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.448 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 13.2 p -64.72 -45.21 87.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.525 -175.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.541 ' HB3' ' HE2' ' A' ' 54' ' ' MET . 61.8 mt-30 -59.01 -44.98 91.77 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.782 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -55.37 -46.22 76.51 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.773 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 45.1 mt-30 -69.25 -34.25 74.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.23 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 49' ' ' SER . 26.3 mtpp -72.7 -39.03 67.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.186 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.661 ' SD ' ' HD3' ' A' ' 62' ' ' ARG . 74.2 mtm -75.98 -41.29 51.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 178.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.97 -150.34 21.43 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.463 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.18 142.27 27.13 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.724 2.283 . . . . 0.0 112.16 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.8 m120 61.15 72.64 0.67 Allowed Pre-proline 0 N--CA 1.467 0.4 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.391 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -87.52 161.71 8.04 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.981 2.454 . . . . 0.0 112.143 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.42 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 28.0 Cg_endo -63.16 123.14 11.66 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.902 2.401 . . . . 0.0 111.869 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.491 ' HA ' ' OE1' ' A' ' 60' ' ' GLN . 13.4 mm-40 -65.57 -29.13 69.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.95 -174.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -69.08 -26.41 64.93 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.077 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.661 ' HD3' ' SD ' ' A' ' 54' ' ' MET . 59.2 ttt180 -76.02 -30.74 58.59 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.488 HD12 ' OE1' ' A' ' 60' ' ' GLN . 67.2 mt -71.64 -36.08 70.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.514 173.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.718 HH11 ' HG2' ' A' ' 64' ' ' ARG . 22.5 ttp85 -57.97 -43.48 86.5 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.08 171.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.606 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -62.19 -47.94 82.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.61 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.451 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 99.1 mmm -68.88 -21.66 64.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.464 -176.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -58.82 -50.0 75.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.108 0.48 . . . . 0.0 110.233 172.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.457 HG22 ' HB3' ' B' ' 72' ' ' ALA . 6.2 m -69.97 -38.43 76.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.303 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.68 -50.31 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.22 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.475 ' HE3' ' HA ' ' A' ' 19' ' ' THR . 19.7 ttt -59.82 -45.74 91.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.23 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.87 95.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.172 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.47 94.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.801 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.593 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 16.8 mm-40 -60.63 -54.88 40.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.561 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 78' ' ' VAL . 61.1 t -55.12 -44.54 74.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.966 0.412 . . . . 0.0 110.723 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.72 92.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.473 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.593 ' HG3' ' O ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -71.53 -28.13 63.67 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.343 -178.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.499 HG21 ' O ' ' A' ' 73' ' ' GLU . 44.1 t -62.14 -48.14 89.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 172.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 74' ' ' VAL . 67.6 t -66.02 -42.37 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.011 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.24 -26.92 68.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.713 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.7 m -87.28 76.37 9.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.191 0.52 . . . . 0.0 110.232 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.5 p -160.67 164.12 19.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.674 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -62.0 137.04 64.63 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.254 1.97 . . . . 0.0 110.98 173.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.07 -13.01 37.92 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.619 2.213 . . . . 0.0 112.373 -172.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -82.32 -14.7 54.92 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.934 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.0 t -126.51 2.76 6.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.135 0.493 . . . . 0.0 110.491 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -59.52 -41.55 90.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.163 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 t -67.17 -34.22 77.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.277 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.43 65.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.545 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.424 HG21 HG12 ' A' ' 31' ' ' VAL . 48.0 t -62.02 -42.88 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.302 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.72 -53.02 62.5 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.68 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -57.92 -35.74 71.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.962 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.5 m -64.27 -54.6 30.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.376 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.432 HG22 HD13 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -60.0 -43.16 91.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.894 177.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.09 -41.95 94.86 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.188 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.22 68.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.692 0.282 . . . . 0.0 110.803 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.419 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 73.1 m -65.23 -29.59 70.4 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.171 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.808 HD11 HD23 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -56.69 -47.16 80.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.142 0.496 . . . . 0.0 110.265 176.344 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 98' ' ' ARG . 33.5 ttt180 -59.43 -51.57 69.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.998 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.419 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 7.3 pt-20 -75.89 -27.19 57.61 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -175.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.8 m -61.2 -41.68 97.25 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.252 175.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.516 ' HE2' HG12 ' A' ' 8' ' ' ILE . 20.1 mmt -67.39 -40.34 85.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.078 176.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.475 ' HE2' HG22 ' A' ' 108' ' ' VAL . 46.8 tpp -61.75 -39.86 93.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.211 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 15.5 mm100 -79.79 -25.92 40.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.75 0.309 . . . . 0.0 111.051 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.43 -64.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -176.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 61.4 p -96.29 -25.9 15.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.91 0.386 . . . . 0.0 110.919 -175.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.3 4.2 58.49 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -175.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.2 m -138.54 144.3 39.84 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.475 HG22 ' HE2' ' A' ' 102' ' ' MET . 58.7 t -88.54 104.48 14.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.797 0.332 . . . . 0.0 111.25 -178.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -80.99 131.18 35.29 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 170.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.445 ' HA ' ' HB ' ' A' ' 113' ' ' THR . 8.0 t30 -106.91 -4.9 18.65 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.87 -53.39 18.26 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.412 ' O ' HG22 ' A' ' 116' ' ' VAL . 85.4 t80 -66.02 -42.01 90.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.156 175.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.526 ' HA ' HD23 ' A' ' 97' ' ' LEU . 69.2 m -58.53 -48.8 79.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.55 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -65.92 -38.7 89.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.758 0.314 . . . . 0.0 110.283 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.3 -46.87 76.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.597 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 112' ' ' PHE . 61.2 t -64.58 -34.79 72.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.585 ' HE3' ' HA ' ' A' ' 117' ' ' MET . 28.3 mmt -70.32 -34.68 72.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.135 -177.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -74.05 -39.43 63.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.96 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.467 ' CD2' ' HE3' ' B' ' 122' ' ' MET . 12.4 mt -58.09 -54.99 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.098 178.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.52 -30.76 50.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.391 -174.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -74.47 -34.78 63.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.694 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.452 ' HE1' HD23 ' B' ' 119' ' ' LEU . 43.6 ttp -66.51 -43.03 86.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.758 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -67.76 -21.99 65.23 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.967 0.413 . . . . 0.0 110.851 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.402 -176.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.522 HG12 ' HE3' ' B' ' 101' ' ' MET . 1.4 pt . . . . . 0 N--CA 1.461 0.116 0 CA-C-O 121.012 0.434 . . . . 0.0 111.708 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . 0.755 ' HA ' ' HB1' ' B' ' 15' ' ' ALA . 49.6 m95 -75.43 10.39 1.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.379 178.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.7 m -57.33 -34.14 68.45 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.395 0.617 . . . . 0.0 110.162 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.485 ' HB2' ' HB3' ' B' ' 14' ' ' ALA . 2.3 m-20 -113.82 124.32 31.3 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 171.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -64.44 -32.43 60.16 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.639 2.226 . . . . 0.0 112.441 -175.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -81.5 -39.8 24.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.838 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.485 ' HB3' ' HB2' ' B' ' 11' ' ' ASN . . . -63.95 -42.33 97.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.689 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.755 ' HB1' ' HA ' ' B' ' 9' ' ' TRP . . . -65.83 -41.4 91.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.134 0.493 . . . . 0.0 110.685 176.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 47.4 ttm -61.03 -25.96 67.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.83 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 42.2 m -64.08 -39.59 94.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.195 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 1.044 ' HE3' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -62.55 -43.95 97.54 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.013 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -62.63 -44.01 97.37 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -71.31 -45.8 62.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.731 -177.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -65.05 -30.51 71.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.756 0.312 . . . . 0.0 110.519 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.777 HD12 HD11 ' B' ' 97' ' ' LEU . 12.8 tp -59.45 -47.58 84.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.205 177.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.503 HG21 ' HB3' ' B' ' 40' ' ' MET . 61.9 t -64.79 -40.81 90.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.545 178.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -63.53 -36.48 83.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.086 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 49.3 t -69.09 -40.27 78.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.878 0.371 . . . . 0.0 110.364 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.69 -33.93 74.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.517 0.675 . . . . 0.0 110.67 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 34.3 t -67.59 -34.95 78.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.325 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -89.13 -10.71 46.23 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.1 p -89.58 -41.92 11.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.014 0.435 . . . . 0.0 110.195 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.79 18.87 79.68 Favored Glycine 0 C--N 1.33 0.218 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.117 174.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.0 t -78.95 -28.97 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.367 0.603 . . . . 0.0 110.292 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.467 ' N ' HD12 ' B' ' 32' ' ' LEU . 6.0 mp -86.47 156.57 20.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.01 -173.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 55.0 p -86.94 177.85 7.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.749 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.23 96.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.61 -47.06 85.42 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.24 0.543 . . . . 0.0 109.882 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.626 ' HB3' HG12 ' B' ' 77' ' ' VAL . 53.0 mt-30 -63.65 -47.9 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.149 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 82.3 mmm -65.49 -38.91 91.15 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -70.45 -30.27 67.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.831 0.348 . . . . 0.0 110.261 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.445 ' HB3' HG22 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -65.33 -43.73 90.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.572 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.575 ' HE3' ' HG ' ' B' ' 22' ' ' LEU . 63.3 mmm -61.81 -47.61 84.33 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.697 176.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.91 -41.06 99.61 Favored Glycine 0 C--N 1.331 0.265 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.052 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -61.4 -42.98 99.59 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.725 0.298 . . . . 0.0 110.508 176.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' MET . . . . . 0.515 ' O ' HG21 ' B' ' 47' ' ' VAL . 47.3 ttp -52.71 -54.0 39.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.79 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.35 79.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.337 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.32 -39.03 71.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.005 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -66.56 -37.85 85.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.885 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' B' ' 51' ' ' MET . 42.6 t -65.79 -40.48 87.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -65.15 -53.15 49.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.186 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 13.1 p -62.89 -41.18 99.32 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.824 -175.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -64.03 -32.81 74.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.576 0.227 . . . . 0.0 111.06 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' B' ' 47' ' ' VAL . 83.4 mmm -75.41 -25.4 57.55 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.771 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -69.07 -37.4 78.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.232 0.539 . . . . 0.0 109.81 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -66.35 -50.31 64.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.894 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.6 mtm -87.17 -39.51 15.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.86 -173.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.4 -164.68 43.91 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.126 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -69.59 155.84 65.4 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.584 2.189 . . . . 0.0 112.125 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 10.2 m120 61.61 74.47 0.5 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.881 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . 0.4 ' HB2' ' HD2' ' B' ' 59' ' ' PRO . 74.0 Cg_endo -96.78 178.94 0.49 Allowed 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.439 2.76 . . . . 0.0 110.96 173.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.651 ' O ' ' HB3' ' B' ' 62' ' ' ARG . 19.4 Cg_endo -63.62 147.43 92.85 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 121.653 1.568 . . . . 0.0 110.996 172.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -65.91 -37.28 85.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.784 0.326 . . . . 0.0 111.607 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.501 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 13.9 p80 -66.92 -20.92 65.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.636 0.255 . . . . 0.0 110.672 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.651 ' HB3' ' O ' ' B' ' 59' ' ' PRO . 20.6 tpt180 -58.03 -45.22 87.3 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.454 HD13 ' O ' ' B' ' 9' ' ' TRP . 49.6 mt -73.06 -40.2 65.26 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.976 178.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 0.491 ' HB3' ' HA ' ' B' ' 61' ' ' HIS . 57.7 ttp85 -56.17 -46.76 79.22 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.454 178.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.411 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -75.0 -44.21 49.45 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -176.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 99.4 mmm -62.1 -26.91 68.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.173 -176.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -55.55 -51.52 66.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.107 0.48 . . . . 0.0 109.901 172.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.454 HG23 ' HB3' ' A' ' 76' ' ' GLU . 7.5 m -69.21 -39.03 78.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.698 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -58.75 -50.24 74.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.99 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' MET . . . . . 0.413 ' HE3' ' SD ' ' B' ' 18' ' ' MET . 21.9 ttt -58.72 -45.71 88.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.193 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . 0.406 ' HB2' HG21 ' B' ' 116' ' ' VAL . . . -60.82 -45.37 94.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.402 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.457 ' HB3' HG22 ' A' ' 68' ' ' THR . . . -64.8 -37.34 87.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.553 ' O ' ' HG2' ' B' ' 76' ' ' GLU . 45.6 mt-10 -63.94 -39.59 94.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.901 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.82 -44.3 85.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.99 0.424 . . . . 0.0 110.955 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.42 99.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.54 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.606 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 17.3 pt-20 -64.15 -35.78 81.88 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.626 HG12 ' HB3' ' B' ' 36' ' ' GLN . 46.7 t -60.99 -46.45 96.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.316 177.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 56.9 t -65.9 -43.81 92.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.886 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.53 -25.98 66.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.987 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 21.8 m -86.57 73.77 10.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.445 0.64 . . . . 0.0 110.505 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 78.8 p -162.96 159.86 18.95 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.288 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . 0.428 ' HB2' ' HG2' ' B' ' 84' ' ' GLN . 26.6 Cg_exo -63.55 147.03 93.27 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.223 1.948 . . . . 0.0 110.959 174.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -55.65 -31.74 80.72 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.61 2.206 . . . . 0.0 112.047 -175.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . 0.428 ' HG2' ' HB2' ' B' ' 82' ' ' PRO . 20.8 pt20 -62.71 -28.3 69.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.555 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.409 ' O ' HG22 ' B' ' 89' ' ' VAL . 12.3 p -112.24 -8.7 13.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.531 -177.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -55.45 -51.31 67.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.832 -176.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 7.7 t -67.71 -35.26 78.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.938 0.399 . . . . 0.0 110.017 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.63 69.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.918 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.409 HG22 ' O ' ' B' ' 85' ' ' SER . 98.7 t -61.39 -41.16 88.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.137 0.494 . . . . 0.0 110.17 178.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.61 -52.43 65.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.448 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.63 -33.31 73.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.913 -179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 70.6 m -64.7 -56.48 13.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.17 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.8 OUTLIER -59.39 -44.45 92.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 179.478 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.0 -32.1 62.21 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 121.291 -0.48 . . . . 0.0 112.82 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.98 -39.2 20.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.688 0.28 . . . . 0.0 110.927 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' CYS . . . . . 0.491 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 72.3 m -63.77 -34.82 78.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.601 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 1.044 ' HG ' ' HE3' ' B' ' 18' ' ' MET . 5.9 mp -60.15 -43.42 95.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.99 0.424 . . . . 0.0 110.732 178.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -59.56 -46.84 87.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.98 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.491 ' HG2' ' HA ' ' B' ' 96' ' ' CYS . 12.3 pt-20 -75.29 -32.9 61.14 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.444 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 54.9 m -63.0 -37.75 88.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.612 0.244 . . . . 0.0 110.531 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.522 ' HE3' HG12 ' B' ' 8' ' ' ILE . 20.5 mmt -67.34 -42.21 83.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.956 0.407 . . . . 0.0 110.268 176.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.434 ' HE3' HG23 ' B' ' 108' ' ' VAL . 51.1 tpp -60.31 -37.09 79.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.849 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -89.64 -4.09 57.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.88 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -105.96 -56.81 2.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.784 0.326 . . . . 0.0 111.435 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 75.3 p -101.6 -31.5 10.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.135 0.493 . . . . 0.0 110.9 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.32 -0.37 40.51 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.495 -176.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.2 m -135.33 161.0 36.64 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.434 HG23 ' HE3' ' B' ' 102' ' ' MET . 89.8 t -103.33 105.69 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.88 0.372 . . . . 0.0 111.212 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -88.05 115.64 25.66 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 171.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -95.66 -0.86 51.18 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.961 0.41 . . . . 0.0 110.005 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.07 -51.77 35.35 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -64.77 -47.92 76.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.798 175.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.546 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 20.2 m -53.39 -44.51 68.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.567 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -70.02 -35.74 74.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.666 0.27 . . . . 0.0 110.683 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -57.33 -44.99 84.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.272 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.464 HG22 HD22 ' B' ' 97' ' ' LEU . 59.3 t -63.31 -34.78 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.966 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.565 ' HA ' ' HE3' ' B' ' 117' ' ' MET . 29.5 mmt -68.78 -37.18 79.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.077 -178.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -71.92 -41.89 67.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.358 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.452 HD23 ' HE1' ' A' ' 122' ' ' MET . 13.2 mt -55.99 -51.58 67.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.342 178.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.34 -28.1 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.631 -174.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' B' ' 117' ' ' MET . 68.9 mttm -76.08 -36.44 58.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.809 0.338 . . . . 0.0 110.323 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.467 ' HE3' ' CD2' ' A' ' 119' ' ' LEU . 43.5 ttp -64.29 -39.08 93.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.566 178.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.98 -24.62 64.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.215 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 16.6 t -92.58 0.76 57.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.201 0.524 . . . . 0.0 110.591 -177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.587 0 CA-C-O 121.052 0.453 . . . . 0.0 110.775 -179.062 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.413 HG23 HG22 ' A' ' 105' ' ' THR . 11.8 pt . . . . . 0 CA--C 1.531 0.237 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -80.77 72.3 7.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.478 0.656 . . . . 0.0 111.85 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.7 p -117.88 -26.22 6.54 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.51 170.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -128.73 131.53 23.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.983 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.586 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 12.5 Cg_exo -63.67 -43.21 17.6 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.631 2.221 . . . . 0.0 112.231 -178.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -67.12 -38.39 85.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.943 0.401 . . . . 0.0 110.742 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.36 99.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.542 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.69 76.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.902 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.439 ' CE ' ' HA ' ' A' ' 48' ' ' ASN . 43.5 ttm -58.04 -33.06 68.58 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.1 m -61.42 -37.37 83.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.97 0.414 . . . . 0.0 110.281 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.84 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -67.51 -41.99 83.57 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 176.103 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.42 ' HA ' ' HE1' ' A' ' 70' ' ' MET . 1.1 m -62.19 -42.27 99.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.006 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -68.91 -48.42 63.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.727 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -59.97 -33.56 72.1 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.075 0.464 . . . . 0.0 110.599 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.508 HD13 HD12 ' A' ' 97' ' ' LEU . 16.6 tp -64.58 -33.02 74.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.071 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.9 t -77.4 -39.85 28.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.3 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 51.6 mt-30 -58.97 -44.62 91.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.783 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 24.1 p -68.91 -40.75 78.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.357 . . . . 0.0 110.603 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB2' HD13 ' A' ' 32' ' ' LEU . . . -62.16 -40.69 96.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.366 0.603 . . . . 0.0 110.678 178.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.4 t -61.93 -43.61 98.48 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.552 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.4 ptp180 -85.04 -27.26 26.5 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.408 ' HG ' ' HA ' ' A' ' 26' ' ' ALA . 37.4 p -65.05 -40.04 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.367 . . . . 0.0 110.503 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.45 6.76 88.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.538 173.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.919 HG23 HD11 ' A' ' 32' ' ' LEU . 6.5 m -77.42 -18.45 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 117.103 0.451 . . . . 0.0 111.277 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.919 HD11 HG23 ' A' ' 31' ' ' VAL . 5.7 mp -101.61 150.04 23.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.425 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.2 p -86.62 177.77 7.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.727 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.75 -32.92 74.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.98 0.419 . . . . 0.0 110.587 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.77 -52.9 54.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.863 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.428 ' HB3' HD23 ' A' ' 32' ' ' LEU . 52.8 mt-30 -61.9 -38.74 89.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.166 -177.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.7 mmm -65.58 -33.78 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.83 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.439 ' HB3' ' CE1' ' B' ' 61' ' ' HIS . 39.1 t70 -82.12 -25.12 34.69 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.31 178.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.531 ' O ' ' HG2' ' A' ' 42' ' ' MET . 74.8 m-20 -63.21 -51.34 66.69 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.511 ' O ' ' HB3' ' A' ' 43' ' ' MET . 84.5 mtp -67.71 -23.75 65.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.2 174.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.91 -46.23 92.11 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.991 -0.623 . . . . 0.0 111.751 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 22.5 ptt? -71.76 -20.79 61.83 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.208 178.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.511 ' HB3' ' O ' ' A' ' 40' ' ' MET . 49.7 ttp -59.45 -54.0 51.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.171 0.51 . . . . 0.0 110.1 171.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.36 74.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.526 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -71.57 -39.26 70.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.615 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 p -66.3 -38.57 88.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.649 0.262 . . . . 0.0 110.75 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 43' ' ' MET . 21.8 t -66.66 -39.46 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.343 0.592 . . . . 0.0 110.031 175.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.439 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 43.0 t-20 -68.51 -48.96 63.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.065 -178.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.456 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 12.4 p -60.52 -36.84 79.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -177.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.57 ' HB3' ' HE2' ' A' ' 54' ' ' MET . 49.1 mt-30 -60.42 -39.33 87.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.256 176.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.586 ' SD ' ' HB2' ' A' ' 12' ' ' PRO . 57.3 mtp -68.89 -29.09 67.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.72 0.295 . . . . 0.0 110.687 178.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -75.38 -31.89 60.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.224 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 49' ' ' SER . 72.4 mmtt -73.43 -52.24 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.658 177.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.57 ' HE2' ' HB3' ' A' ' 50' ' ' GLN . 72.9 mtm -82.13 -78.78 0.19 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.342 -177.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.87 -152.01 21.97 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.308 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -85.84 -0.65 8.67 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.147 2.565 . . . . 0.0 113.646 -175.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -138.3 68.25 47.07 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-O 120.882 0.372 . . . . 0.0 110.833 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -84.24 163.23 13.2 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.992 2.461 . . . . 0.0 112.77 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.41 137.19 42.35 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.585 2.19 . . . . 0.0 111.811 176.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -65.8 -37.94 87.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.848 -176.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.473 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 21.6 p80 -63.12 -25.88 68.56 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.941 0.4 . . . . 0.0 110.916 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.671 ' HG3' ' SD ' ' B' ' 42' ' ' MET . 32.1 ttm180 -68.33 -36.88 79.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.36 -34.37 74.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.803 175.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.677 ' HD2' HG23 ' B' ' 80' ' ' THR . 30.5 ttp85 -56.38 -45.97 80.28 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.507 174.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.459 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -72.36 -38.0 68.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 89.8 mmm -64.35 -25.48 68.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.716 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -55.19 -49.81 70.96 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.301 0.376 . . . . 0.0 110.744 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.2 m -76.56 -30.33 57.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.936 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.48 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -58.71 -58.62 7.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.654 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.42 ' HE1' ' HA ' ' A' ' 19' ' ' THR . 18.5 ttt -58.82 -40.57 84.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.753 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.422 ' HB3' HG22 ' A' ' 116' ' ' VAL . . . -60.28 -48.76 80.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.451 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.466 ' HB1' ' OE2' ' A' ' 76' ' ' GLU . . . -71.92 -29.11 63.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.152 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 35.9 mt-10 -64.03 -18.01 63.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.783 -0.19 . . . . 0.0 110.952 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.4 t -92.86 -47.77 13.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.923 0.392 . . . . 0.0 110.765 173.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.33 -53.03 56.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.46 -174.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.578 ' HG2' ' HB ' ' B' ' 68' ' ' THR . 1.9 mp0 -61.46 -31.67 71.64 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.423 ' O ' HG21 ' A' ' 80' ' ' THR . 76.9 t -66.31 -35.27 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.161 0.505 . . . . 0.0 110.271 176.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.1 t -73.34 -43.14 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.715 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' A' ' 120' ' ' VAL . . . -74.16 -14.4 60.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -175.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.423 HG21 ' O ' ' A' ' 77' ' ' VAL . 6.0 t -90.26 1.93 55.98 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.046 0.45 . . . . 0.0 111.275 -176.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.6 p -88.4 163.53 36.04 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.524 -178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -58.75 159.87 19.48 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.717 2.278 . . . . 0.0 111.549 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.65 -27.77 69.05 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.163 1.909 . . . . 0.0 111.651 -175.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -78.68 -21.56 48.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.751 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.7 t -100.86 -23.48 14.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.315 -176.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -48.02 -61.28 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.599 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.3 m -60.72 -36.03 77.81 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.261 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.8 -45.26 83.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.738 0.304 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.4 t -72.15 -43.63 66.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.435 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -56.63 -51.04 70.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.449 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -59.05 -45.12 91.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.8 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.1 m -63.28 -49.51 73.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.993 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.464 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.2 mm -64.74 -49.56 79.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.782 178.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.43 -41.81 73.36 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.32 -0.467 . . . . 0.0 112.628 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.99 -39.14 66.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.66 0.267 . . . . 0.0 110.848 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 45.0 t -68.52 -30.52 69.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.831 -175.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.84 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 7.8 mp -60.07 -40.71 90.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.179 0.514 . . . . 0.0 110.184 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -63.77 -43.31 96.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.257 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 10.8 mm-40 -65.01 -52.17 57.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.338 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.0 m -57.35 -39.77 76.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.949 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 17.7 mmt -63.96 -40.69 96.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.995 0.426 . . . . 0.0 110.167 176.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.467 ' HE3' HG21 ' A' ' 108' ' ' VAL . 47.6 tpp -65.03 -32.17 73.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.846 177.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 81.6 mm-40 -82.69 -31.89 28.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.344 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.58 -61.55 1.77 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.836 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.413 HG22 HG23 ' A' ' 8' ' ' ILE . 62.5 p -98.68 -30.52 12.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.115 0.483 . . . . 0.0 111.103 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.86 4.47 57.84 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -176.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.8 m -136.26 132.51 35.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.467 HG21 ' HE3' ' A' ' 102' ' ' MET . 57.9 t -82.12 105.37 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.679 0.276 . . . . 0.0 110.873 -178.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -76.55 136.13 39.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.841 172.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -100.15 -19.0 16.66 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.355 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.59 74.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 111.107 -176.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -72.43 -48.81 38.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.202 178.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.522 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 14.8 m -55.89 -43.67 77.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.143 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.419 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 61.5 t30 -70.19 -39.59 75.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.997 0.427 . . . . 0.0 110.806 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.66 -45.83 88.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.102 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.48 ' HA ' HD11 ' A' ' 119' ' ' LEU . 58.1 t -61.41 -35.03 63.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.8 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.577 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 25.1 mmt -69.99 -41.73 74.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.006 -177.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 26.7 mm-40 -68.37 -36.75 79.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.585 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' ' 116' ' ' VAL . 27.9 mt -59.8 -51.89 67.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.086 177.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.441 HG22 ' HB3' ' A' ' 79' ' ' ALA . 12.1 p -70.63 -36.72 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.696 -175.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -69.92 -31.54 69.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.62 0.247 . . . . 0.0 110.642 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -66.19 -45.4 80.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.3 mt -73.38 -20.83 60.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.439 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.323 -0.568 0 CA-C-O 121.002 0.429 . . . . 0.0 110.349 -179.65 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.541 HG12 ' HE1' ' B' ' 101' ' ' MET . 12.3 pt . . . . . 0 CA--C 1.527 0.094 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -77.86 10.97 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.005 0.431 . . . . 0.0 111.491 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.3 p -66.54 -28.37 68.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.519 0.676 . . . . 0.0 109.379 169.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -120.65 115.77 32.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.29 174.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -70.06 -33.44 15.46 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.433 2.089 . . . . 0.0 113.097 -172.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -76.08 -40.97 51.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.079 0.466 . . . . 0.0 110.299 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.75 -41.65 87.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.514 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -35.35 80.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.727 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.7 ttm -61.42 -25.52 67.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.849 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 47.3 m -65.19 -36.56 84.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.175 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.493 ' HE3' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -64.97 -42.78 94.27 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.827 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.45 ' HA ' ' HE3' ' B' ' 70' ' ' MET . 0.6 OUTLIER -63.8 -43.84 95.09 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.606 177.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -62.82 -43.23 99.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.557 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -65.67 -38.19 88.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.092 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.718 HD22 HD11 ' B' ' 97' ' ' LEU . 31.4 mt -56.82 -43.43 80.99 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.213 177.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.94 -39.22 84.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.78 0.324 . . . . 0.0 110.696 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -67.82 -36.96 81.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.578 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 30.8 p -80.71 -38.11 29.43 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.655 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.4 85.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 111.331 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' SER . . . . . 0.423 ' HB2' ' HE3' ' B' ' 37' ' ' MET . 32.9 t -65.21 -25.57 67.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.613 -175.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -97.79 1.44 48.35 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.49 -176.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 89.2 p -81.97 -51.12 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.542 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.48 3.53 62.88 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.774 -177.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.413 ' HB ' HD12 ' B' ' 32' ' ' LEU . 5.6 t -85.39 -36.53 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.246 0.546 . . . . 0.0 110.569 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.413 HD12 ' HB ' ' B' ' 31' ' ' VAL . 6.0 mp -91.29 151.13 21.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.796 -176.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 67.4 p -87.47 170.4 11.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.892 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.03 -30.8 71.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.152 0.501 . . . . 0.0 110.559 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.9 -57.45 11.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.579 177.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.713 ' HB3' HG12 ' B' ' 77' ' ' VAL . 46.9 mt-30 -60.9 -41.56 96.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.514 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' MET . . . . . 0.423 ' HE3' ' HB2' ' B' ' 27' ' ' SER . 68.4 mmm -64.04 -34.31 77.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.818 -177.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.427 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 14.5 t70 -69.78 -38.27 76.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -60.74 -43.33 98.08 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.255 0.55 . . . . 0.0 110.412 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.459 ' O ' ' HB3' ' B' ' 43' ' ' MET . 84.5 mtp -66.99 -31.42 71.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.028 0.442 . . . . 0.0 110.646 178.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.96 -45.92 84.77 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.077 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.671 ' SD ' ' HG3' ' A' ' 62' ' ' ARG . 24.7 ptt? -67.24 -26.79 66.76 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.78 0.324 . . . . 0.0 110.304 177.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' MET . . . . . 0.459 ' HB3' ' O ' ' B' ' 40' ' ' MET . 47.8 ttp -58.38 -53.61 56.41 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.021 0.438 . . . . 0.0 110.372 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.29 93.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.07 -40.34 78.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.698 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 22.4 p -64.25 -42.04 96.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.492 0.187 . . . . 0.0 110.987 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.438 HG22 ' O ' ' B' ' 43' ' ' MET . 46.6 t -62.66 -39.07 83.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.341 0.591 . . . . 0.0 109.818 175.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -64.94 -46.27 82.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.729 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 5.3 p -70.42 -26.86 63.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.587 -177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -66.18 -37.91 86.77 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.417 ' HE2' ' HB3' ' B' ' 51' ' ' MET . 42.7 mtp -68.78 -27.67 66.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.587 175.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.94 -30.28 70.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.148 0.499 . . . . 0.0 110.03 174.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -82.21 -47.79 12.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.357 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 62.0 mtm -75.22 -49.36 19.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.235 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.84 -133.02 22.49 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.782 -175.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -80.63 157.11 21.64 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.931 2.421 . . . . 0.0 112.461 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 54.36 70.8 1.54 Allowed Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.893 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -81.53 156.01 18.76 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.069 1.846 . . . . 0.0 113.428 -176.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.452 ' HG2' ' HB2' ' B' ' 62' ' ' ARG . 55.8 Cg_endo -71.38 115.24 4.2 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 123.506 2.804 . . . . 0.0 111.771 176.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -55.67 -40.06 71.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.18 -176.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.799 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 29.3 p80 -64.99 -36.07 83.21 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.608 -176.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.452 ' HB2' ' HG2' ' B' ' 59' ' ' PRO . 72.8 mtt180 -66.34 -28.98 69.08 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.089 -0.644 . . . . 0.0 109.963 177.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.86 -36.13 67.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.886 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 0.799 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 23.9 ptt180 -64.65 -37.51 87.83 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.64 -42.02 52.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.025 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.469 ' HA ' ' HB3' ' B' ' 69' ' ' ALA . 90.7 mmm -66.84 -25.1 66.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.385 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . 0.4 ' O ' ' HE1' ' B' ' 112' ' ' PHE . 7.1 t30 -52.37 -55.61 20.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.277 0.56 . . . . 0.0 110.09 173.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.578 ' HB ' ' HG2' ' A' ' 76' ' ' GLU . 17.4 m -80.13 -23.72 40.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.214 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -58.34 -52.57 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.187 176.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' MET . . . . . 0.45 ' HE3' ' HA ' ' B' ' 19' ' ' THR . 17.6 ttt -56.96 -43.96 82.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.485 176.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.67 88.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.598 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.81 -32.44 72.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.247 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 42.7 mt-10 -62.6 -46.89 86.2 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.427 ' O ' HG23 ' B' ' 78' ' ' VAL . 82.8 t -61.21 -44.86 99.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.443 175.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.53 91.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.225 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 25.5 tp10 -59.91 -42.18 93.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.638 176.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.713 HG12 ' HB3' ' B' ' 36' ' ' GLN . 75.4 t -63.81 -44.91 98.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.045 178.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 74' ' ' VAL . 65.5 t -69.4 -44.42 80.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.322 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.66 -33.47 76.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.805 0.336 . . . . 0.0 111.45 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' THR . . . . . 0.677 HG23 ' HD2' ' A' ' 64' ' ' ARG . 16.7 m -85.24 77.84 9.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.316 0.579 . . . . 0.0 110.414 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 60.4 p -154.02 162.17 27.48 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.0 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -56.97 148.6 67.04 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.421 2.081 . . . . 0.0 111.324 173.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.69 -19.1 66.73 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.293 1.995 . . . . 0.0 111.812 -175.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -86.2 -20.76 28.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.256 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.402 ' O ' HG22 ' B' ' 89' ' ' VAL . 18.3 t -107.48 -23.83 12.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.089 -175.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -43.99 -59.2 2.4 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.187 0.517 . . . . 0.0 112.154 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m -58.58 -32.36 68.88 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.58 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.81 -46.3 31.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.595 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.402 HG22 ' O ' ' B' ' 85' ' ' SER . 58.1 t -58.69 -44.55 90.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.271 0.558 . . . . 0.0 109.914 177.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -56.98 -50.56 72.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.492 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -63.12 -38.03 89.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.138 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 61.7 m -63.32 -48.48 77.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.363 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.7 mm -65.65 -46.5 89.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.1 -37.72 92.06 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.547 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.49 -42.76 70.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 178.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 46.4 t -71.03 -27.37 63.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.843 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.718 HD11 HD22 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -55.49 -46.33 76.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.045 177.031 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.522 ' HG3' HG22 ' B' ' 108' ' ' VAL . 38.7 ttp180 -60.3 -50.56 73.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.958 178.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -59.06 -50.28 74.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.99 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 73.1 m -54.5 -42.88 71.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.972 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.541 ' HE1' HG12 ' B' ' 8' ' ' ILE . 15.6 mmt -65.99 -43.1 88.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.811 0.338 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 46.8 tpp -62.09 -38.72 89.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.963 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -83.32 -17.49 42.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.8 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.45 -53.09 4.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.817 0.341 . . . . 0.0 111.693 -177.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.437 HG23 ' CG2' ' B' ' 8' ' ' ILE . 67.7 p -109.7 -43.01 4.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.685 -173.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.92 -11.82 7.76 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 68.2 m -130.83 142.69 50.4 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.525 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 3.7 p -91.45 104.99 16.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.502 0.668 . . . . 0.0 111.01 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -71.56 129.67 39.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.52 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.26 -24.81 23.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.631 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.74 -54.41 45.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.966 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . 0.449 ' O ' HG22 ' B' ' 116' ' ' VAL . 76.9 t80 -66.89 -46.04 76.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.445 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.545 HG21 ' HB3' ' B' ' 97' ' ' LEU . 59.8 m -56.61 -44.13 80.83 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.315 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . 0.55 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 65.6 t30 -72.72 -38.05 67.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.608 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.81 -41.98 92.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.383 -178.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.449 HG22 ' O ' ' B' ' 112' ' ' PHE . 58.4 t -59.53 -39.26 78.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.127 0.489 . . . . 0.0 109.992 177.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.558 ' HA ' ' HE2' ' B' ' 117' ' ' MET . 20.2 mmt -67.06 -44.85 79.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.079 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 44.4 mt-30 -57.52 -43.1 84.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.757 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.92 -51.25 67.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.452 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.0 p -72.18 -32.33 42.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.511 -174.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' B' ' 125' ' ' ALA . 58.0 mtpt -75.01 -7.94 55.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.0 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -100.32 -50.82 3.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.931 0.396 . . . . 0.0 110.538 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.79 -38.67 86.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.868 -176.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 33.1 t -97.8 13.9 28.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.172 -176.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' B' ' 121' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.185 0.517 . . . . 0.0 111.564 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.823 ' HB ' HG21 ' A' ' 105' ' ' THR . 2.7 pp . . . . . 0 C--O 1.232 0.182 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -71.9 8.74 1.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.871 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.5 m -65.34 -23.58 67.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.307 0.575 . . . . 0.0 109.485 172.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -122.19 114.2 30.75 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.02 176.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -70.78 -33.95 11.93 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.735 2.29 . . . . 0.0 112.715 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -68.21 -41.99 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.428 . . . . 0.0 109.866 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.41 95.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.713 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.35 99.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.657 177.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.1 ttm -62.53 -29.84 70.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.531 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.8 m -65.05 -36.78 85.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.966 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.45 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 0.2 OUTLIER -65.48 -42.08 92.6 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 176.621 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -44.87 95.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.348 176.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -64.04 -44.17 93.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.824 178.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -59.4 -40.53 86.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.641 HD21 HD11 ' A' ' 97' ' ' LEU . 29.2 mt -62.28 -42.02 98.99 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.174 -0.211 . . . . 0.0 111.325 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.42 -44.8 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.681 0.277 . . . . 0.0 110.62 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -62.23 -45.78 91.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.073 0.463 . . . . 0.0 110.069 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.6 t -60.73 -42.67 97.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.503 ' HB2' HD12 ' A' ' 32' ' ' LEU . . . -68.23 -41.67 80.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.094 0.473 . . . . 0.0 111.255 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 t -67.7 -33.63 75.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.139 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -86.33 -24.02 26.01 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.302 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 p -74.62 -41.89 59.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.075 0.464 . . . . 0.0 110.094 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.97 19.82 78.54 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.649 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 p -88.55 -18.24 8.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.064 0.459 . . . . 0.0 110.139 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.503 HD12 ' HB2' ' A' ' 26' ' ' ALA . 5.3 mp -95.72 152.16 18.71 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.548 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.3 p -85.46 178.42 7.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.298 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -43.13 91.63 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.965 ' HB3' HH22 ' B' ' 64' ' ' ARG . 1.1 m-20 -52.43 -58.5 6.52 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.906 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.572 ' HB3' HG13 ' A' ' 77' ' ' VAL . 48.4 mt-30 -60.08 -46.98 87.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.149 -175.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.6 mmm -59.99 -46.18 90.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.826 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.402 ' OD2' ' HE1' ' B' ' 61' ' ' HIS . 29.4 t70 -68.23 -33.92 75.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.019 0.438 . . . . 0.0 111.077 -174.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.478 ' HA ' ' NH1' ' B' ' 62' ' ' ARG . 65.6 m-20 -71.64 -35.42 70.39 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.814 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.5 mtp -65.05 -34.27 78.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.014 0.435 . . . . 0.0 110.185 174.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.79 -40.82 99.33 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.655 174.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.435 ' SD ' ' HG3' ' B' ' 62' ' ' ARG . 53.3 ttp -64.0 -35.42 80.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 110.693 176.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.491 ' O ' HG22 ' A' ' 47' ' ' VAL . 43.6 ttp -58.44 -46.13 87.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 177.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.94 89.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.972 0.415 . . . . 0.0 110.773 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.48 -38.76 77.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.49 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 p -66.67 -39.87 88.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.685 0.278 . . . . 0.0 111.042 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 43' ' ' MET . 41.6 t -65.67 -35.63 75.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.253 0.549 . . . . 0.0 109.957 175.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -72.01 -48.89 41.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.575 -177.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.501 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 8.1 p -62.61 -40.14 96.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.581 -175.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.536 ' HB3' ' HE2' ' A' ' 54' ' ' MET . 92.5 mt-30 -58.2 -39.37 78.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.855 0.36 . . . . 0.0 110.894 177.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 88.0 mmm -62.63 -49.25 75.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.27 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -70.44 -21.15 62.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.382 -177.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 49' ' ' SER . 41.1 mtpt -78.81 -47.46 16.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.387 176.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.536 ' HE2' ' HB3' ' A' ' 50' ' ' GLN . 74.3 mtm -79.79 -55.4 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.809 -174.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.31 -159.8 27.17 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.109 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -84.28 -14.02 7.22 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.638 2.225 . . . . 0.0 113.07 -176.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -135.5 81.72 41.65 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-O 121.15 0.5 . . . . 0.0 110.699 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -63.18 158.53 43.72 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.994 2.463 . . . . 0.0 112.398 173.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.503 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 40.7 Cg_endo -66.96 154.96 72.89 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.947 2.431 . . . . 0.0 112.258 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 28.1 mm-40 -58.07 -43.2 86.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.161 -177.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.592 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 30.3 p80 -60.8 -35.15 75.75 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.865 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.503 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 3.0 tmt_? -66.14 -38.95 89.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.799 0.333 . . . . 0.0 110.343 -177.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.96 -49.98 70.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.369 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.592 ' HE ' ' HA ' ' A' ' 61' ' ' HIS . 10.1 ptt180 -72.37 -21.05 61.35 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.924 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.879 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -76.35 -51.15 12.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.935 0.397 . . . . 0.0 110.691 175.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.453 ' HA ' ' HB2' ' A' ' 69' ' ' ALA . 99.7 mmm -63.73 -22.06 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.293 -177.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -50.85 -53.24 33.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.127 0.489 . . . . 0.0 109.992 170.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 57.3 m -76.85 -33.06 57.92 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.072 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.453 ' HB2' ' HA ' ' A' ' 66' ' ' MET . . . -60.79 -54.68 42.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.654 0.264 . . . . 0.0 111.304 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.483 ' HE3' ' CZ ' ' A' ' 112' ' ' PHE . 20.7 ttt -59.38 -44.22 92.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.48 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.96 99.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.129 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.14 -38.09 89.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.019 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -62.04 -48.82 78.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.689 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.438 HG22 ' SD ' ' A' ' 43' ' ' MET . 73.1 t -58.95 -45.73 91.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.827 0.346 . . . . 0.0 110.629 177.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.89 -43.47 98.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.378 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.76 -45.73 91.35 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.572 HG13 ' HB3' ' A' ' 36' ' ' GLN . 39.3 t -58.03 -50.76 76.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.37 177.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 74' ' ' VAL . 95.6 t -61.69 -45.08 99.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.647 0.261 . . . . 0.0 111.384 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.449 ' HB1' HG21 ' A' ' 120' ' ' VAL . . . -64.01 -19.61 65.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.59 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.3 m -91.22 69.18 6.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.256 0.55 . . . . 0.0 110.199 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 56.9 p -152.33 152.99 30.26 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.416 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.01 143.11 99.19 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.284 1.989 . . . . 0.0 111.241 175.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.35 -24.74 36.15 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.227 2.618 . . . . 0.0 112.419 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -60.23 -50.04 75.22 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.569 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.5 m -107.07 4.23 26.72 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.909 -173.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -55.47 -48.75 74.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 110.787 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.3 t -62.24 -38.91 91.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.549 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.66 -48.99 72.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.9 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.413 HG13 ' HG ' ' A' ' 32' ' ' LEU . 77.7 t -62.13 -46.41 96.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.946 0.403 . . . . 0.0 110.199 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -57.83 -50.09 74.45 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.493 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -58.57 -43.97 89.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.08 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.3 m -59.42 -50.37 74.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.37 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.412 HG23 HD13 ' A' ' 97' ' ' LEU . 1.5 mm -66.8 -48.97 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.073 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.48 -32.23 82.4 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.934 -0.651 . . . . 0.0 113.213 -176.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.54 -38.21 26.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.669 -0.313 . . . . 0.0 110.905 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.0 t -77.18 -25.11 51.49 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.641 HD11 HD21 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -50.55 -53.32 31.25 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.146 176.423 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -57.26 -50.06 74.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.138 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 7.0 mm-40 -64.28 -47.1 80.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.97 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 61.9 m -51.34 -39.86 57.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.402 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.491 ' HE3' HD11 ' A' ' 8' ' ' ILE . 15.0 mmt -64.38 -44.71 90.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.829 0.347 . . . . 0.0 110.761 177.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.415 ' HE3' HG21 ' A' ' 108' ' ' VAL . 27.4 ttm -70.24 -26.27 63.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.988 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 32.2 mm-40 -77.68 -35.87 51.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.132 0.491 . . . . 0.0 110.194 177.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.76 -68.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.374 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.823 HG21 ' HB ' ' A' ' 8' ' ' ILE . 72.0 p -89.49 -40.26 12.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.189 0.518 . . . . 0.0 110.869 -176.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.58 -1.77 30.7 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -176.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.5 m -129.82 134.3 47.47 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.415 HG21 ' HE3' ' A' ' 102' ' ' MET . 63.9 t -75.78 101.95 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.938 0.399 . . . . 0.0 110.976 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -75.58 101.39 4.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.318 175.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -76.58 -20.68 56.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.812 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.66 -52.43 57.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.834 0.35 . . . . 0.0 110.496 -178.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.483 ' CZ ' ' HE3' ' A' ' 70' ' ' MET . 79.2 t80 -66.82 -49.27 66.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.212 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.574 HG21 ' HB3' ' A' ' 97' ' ' LEU . 28.6 m -55.08 -44.88 75.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.718 -178.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -66.99 -42.92 84.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.729 0.299 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.21 -41.63 89.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 -175.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 82.5 t -58.2 -40.45 77.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.902 0.382 . . . . 0.0 110.973 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.577 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 8.6 mmt -69.95 -37.95 75.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.226 -176.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -70.4 -40.9 73.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.487 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.507 HD21 ' HE2' ' B' ' 122' ' ' MET . 13.9 mt -58.69 -47.7 83.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.344 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.449 HG21 ' HB1' ' A' ' 79' ' ' ALA . 14.4 p -71.71 -36.42 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.962 -176.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -66.1 -33.82 76.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.643 0.259 . . . . 0.0 110.783 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.481 ' HE2' HD22 ' B' ' 119' ' ' LEU . 37.4 ttp -68.63 -39.0 80.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 178.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 83.4 mt -74.42 -32.35 62.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.205 0.526 . . . . 0.0 111.007 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--N 1.314 -0.951 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.177 179.541 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.862 ' HB ' HG22 ' B' ' 105' ' ' THR . 2.5 pp . . . . . 0 N--CA 1.462 0.156 0 CA-C-O 120.828 0.347 . . . . 0.0 111.65 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . 0.499 ' O ' HD12 ' B' ' 63' ' ' LEU . 87.3 m95 -79.7 12.19 2.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.425 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.5 m -60.08 -30.0 68.94 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.519 0.676 . . . . 0.0 109.702 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -130.46 111.16 16.43 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.457 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -67.2 -26.36 42.35 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.085 2.523 . . . . 0.0 112.409 -173.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -67.38 -36.79 82.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.123 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.37 -42.03 65.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.256 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.65 97.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.642 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' MET . . . . . 0.407 ' HE3' HG11 ' B' ' 47' ' ' VAL . 43.1 ttm -63.48 -27.24 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.519 177.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 63.2 m -67.28 -37.21 83.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.192 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.574 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.3 OUTLIER -62.64 -39.53 94.16 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 175.739 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -63.0 -47.29 83.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.804 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -67.12 -39.91 86.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.981 -178.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -61.82 -36.92 82.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.985 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.658 HD23 HD12 ' B' ' 97' ' ' LEU . 54.5 mt -59.73 -47.29 86.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.065 177.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.425 HG22 ' HB3' ' B' ' 40' ' ' MET . 90.5 t -61.72 -45.39 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.962 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 48.1 mt-30 -61.48 -42.68 99.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.038 0.447 . . . . 0.0 110.193 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 31.1 t -64.32 -41.81 96.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.823 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' B' ' 32' ' ' LEU . . . -63.6 -37.23 86.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.947 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 39.8 t -70.34 -21.61 62.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.715 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' B' ' 24' ' ' GLN . 53.5 mtp180 -80.79 -35.5 33.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.827 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.9 p -80.39 -48.13 13.37 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.981 -177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.91 23.33 78.15 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.07 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.1 p -88.24 -5.67 10.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.625 0.726 . . . . 0.0 109.963 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' B' ' 26' ' ' ALA . 4.9 mp -104.57 160.87 14.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.568 -178.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 35.0 p -89.21 173.6 8.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.804 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.08 96.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.745 0.307 . . . . 0.0 110.738 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.57 ' OD2' ' HB3' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -54.84 -48.83 72.36 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.756 175.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.666 ' HB3' HG11 ' B' ' 77' ' ' VAL . 27.0 mt-30 -68.11 -44.44 76.17 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.255 -177.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 80.7 mmm -63.01 -45.69 91.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.641 0.257 . . . . 0.0 111.229 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -69.42 -25.52 64.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.353 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -72.91 -44.06 61.7 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.203 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.425 ' HB3' HG22 ' B' ' 23' ' ' VAL . 88.6 mtp -61.99 -38.76 89.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.255 176.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.95 -42.48 96.83 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.436 175.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -60.27 -42.61 95.77 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.836 0.35 . . . . 0.0 110.293 175.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 39.6 ttp -54.79 -52.05 63.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.089 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.92 95.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.53 -34.08 77.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.209 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 65.1 m -62.13 -50.49 71.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.584 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.407 HG11 ' HE3' ' B' ' 16' ' ' MET . 24.3 t -58.58 -42.36 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 121.372 0.606 . . . . 0.0 109.825 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -60.29 -47.32 86.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.088 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.452 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 20.5 m -69.56 -43.26 73.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.27 -178.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -58.83 -41.6 87.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.656 0.265 . . . . 0.0 111.046 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -57.0 -48.61 78.05 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.079 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.407 HE21 ' HA ' ' B' ' 49' ' ' SER . 26.5 pt20 -82.77 -7.91 59.62 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -176.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.633 ' HZ3' ' HB3' ' B' ' 53' ' ' LYS . 9.6 mtpm? -81.03 -9.78 59.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.327 0.584 . . . . 0.0 109.926 170.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' MET . . . . . 0.539 ' SD ' ' HG2' ' B' ' 62' ' ' ARG . 74.9 mtm -112.21 -172.52 2.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.587 177.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.75 179.7 51.29 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.373 -0.917 . . . . 0.0 111.906 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.6 -14.36 39.37 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.512 2.141 . . . . 0.0 112.456 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -128.91 84.61 62.55 Favored Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.699 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.42 157.0 53.9 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.459 2.106 . . . . 0.0 112.712 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.641 ' HG2' ' HD3' ' B' ' 62' ' ' ARG . 31.6 Cg_endo -65.3 147.4 87.67 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.695 2.263 . . . . 0.0 111.907 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -66.57 -30.93 71.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.827 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.551 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 25.8 p80 -68.28 -20.4 64.78 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.227 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.641 ' HD3' ' HG2' ' B' ' 59' ' ' PRO . 2.9 mpt_? -68.64 -38.94 80.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.499 HD12 ' O ' ' B' ' 9' ' ' TRP . 75.9 mt -68.05 -39.86 82.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.934 -177.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 0.965 HH22 ' HB3' ' A' ' 35' ' ' ASP . 23.6 ptt180 -64.73 -39.37 93.52 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.708 0.289 . . . . 0.0 110.343 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.55 -38.45 65.23 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 111.046 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 86.5 mmm -68.8 -29.78 68.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.151 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . 0.492 ' HA ' ' CZ2' ' B' ' 9' ' ' TRP . 7.7 t30 -54.88 -50.56 68.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.228 0.537 . . . . 0.0 110.225 175.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 18.3 m -70.86 -35.77 72.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.963 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.83 -51.33 67.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.842 0.353 . . . . 0.0 111.328 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.0 ttt -60.67 -47.0 88.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.717 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.39 98.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.221 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.01 94.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.451 ' O ' HG21 ' B' ' 77' ' ' VAL . 24.8 mm-40 -62.41 -48.46 79.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.146 178.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.473 ' O ' HG21 ' B' ' 78' ' ' VAL . 58.7 t -57.72 -45.35 86.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.968 0.413 . . . . 0.0 110.539 176.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.93 96.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.784 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.879 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 18.4 tp10 -57.51 -49.7 75.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.256 176.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.666 HG11 ' HB3' ' B' ' 36' ' ' GLN . 54.1 t -52.1 -49.61 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.954 178.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.473 HG21 ' O ' ' B' ' 74' ' ' VAL . 58.4 t -64.13 -41.35 92.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.07 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.38 2.02 26.61 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 39.1 m -92.12 -11.61 35.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.215 0.531 . . . . 0.0 110.259 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 89.6 p -74.5 160.6 80.79 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.46 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . 0.415 ' HB2' ' HG2' ' B' ' 84' ' ' GLN . 18.8 Cg_exo -66.31 146.27 80.36 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.217 1.945 . . . . 0.0 110.557 173.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -55.19 -32.23 79.39 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.552 2.168 . . . . 0.0 111.988 -176.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . 0.415 ' HG2' ' HB2' ' B' ' 82' ' ' PRO . 13.8 pt20 -66.41 -17.9 65.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.002 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 68.2 m -123.5 4.75 8.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . 0.527 ' OH ' HG21 ' B' ' 120' ' ' VAL . 38.4 t80 -55.01 -58.09 9.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.416 -176.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 69.9 m -61.61 -35.41 77.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.461 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.28 96.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.927 0.394 . . . . 0.0 110.551 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 56.8 t -70.14 -45.36 76.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.196 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -57.59 -50.98 71.33 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.709 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -58.99 -36.17 74.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.969 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 87.9 m -67.53 -50.56 58.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.805 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . 0.431 HG21 HD11 ' B' ' 97' ' ' LEU . 1.4 mm -64.93 -46.65 91.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.956 178.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.77 -40.88 97.22 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.853 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.25 -35.48 66.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.791 0.329 . . . . 0.0 111.301 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.79 -14.95 40.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.845 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.658 HD12 HD23 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -56.77 -47.07 80.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.473 0.654 . . . . 0.0 109.516 171.204 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -58.46 -49.67 76.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.583 176.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -58.85 -48.25 82.0 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.912 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' SER . . . . . 0.427 ' HB3' ' HG2' ' B' ' 18' ' ' MET . 66.7 m -55.09 -46.2 75.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.697 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.436 ' HE2' ' HE2' ' B' ' 18' ' ' MET . 18.9 mmt -62.63 -39.07 92.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.94 0.4 . . . . 0.0 111.13 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.523 ' HE1' HG21 ' B' ' 108' ' ' VAL . 7.1 ttm -68.19 -24.63 64.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.556 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -96.78 -20.54 18.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.044 0.45 . . . . 0.0 111.407 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.11 -57.33 3.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.894 0.378 . . . . 0.0 110.993 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.862 HG22 ' HB ' ' B' ' 8' ' ' ILE . 64.3 p -107.12 -26.79 10.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 0.0 110.745 -178.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' B' ' 102' ' ' MET . . . 99.87 -0.09 56.37 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -176.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' B' ' 101' ' ' MET . 17.0 m -135.5 135.16 40.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.485 -0.358 . . . . 0.0 110.129 -177.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.523 HG21 ' HE1' ' B' ' 102' ' ' MET . 53.0 t -88.19 102.6 12.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.788 0.328 . . . . 0.0 110.608 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -78.27 133.59 37.66 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.868 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -91.66 -21.33 20.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.48 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.59 -52.44 60.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.646 0.26 . . . . 0.0 110.688 -176.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . 0.452 ' O ' HG22 ' B' ' 116' ' ' VAL . 83.3 t80 -67.23 -50.2 61.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.342 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.522 ' HA ' HD22 ' B' ' 97' ' ' LEU . 43.2 m -55.14 -44.45 75.09 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.286 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . 0.461 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 13.2 t30 -69.75 -38.15 76.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.818 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . 0.412 ' HA ' HE21 ' B' ' 118' ' ' GLN . 12.0 tp10 -62.47 -42.17 99.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.626 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.452 HG22 ' O ' ' B' ' 112' ' ' PHE . 57.7 t -58.16 -41.03 79.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.025 0.441 . . . . 0.0 110.384 176.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.559 ' HE1' ' HA ' ' B' ' 117' ' ' MET . 26.5 mmt -64.63 -43.15 94.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.505 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 37.9 mt-30 -62.3 -45.58 92.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.995 0.426 . . . . 0.0 110.337 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.53 ' O ' ' HG ' ' B' ' 123' ' ' LEU . 15.8 mt -55.84 -51.48 67.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.395 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . 0.527 HG21 ' OH ' ' B' ' 86' ' ' TYR . 11.4 p -69.35 -36.25 71.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.242 -174.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -64.36 -39.1 93.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.973 0.416 . . . . 0.0 110.375 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.507 ' HE2' HD21 ' A' ' 119' ' ' LEU . 37.0 ttp -68.29 -38.54 81.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.063 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 119' ' ' LEU . 86.9 mt -65.98 -29.43 69.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.029 0.443 . . . . 0.0 110.645 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 23.9 t -94.84 7.42 46.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.735 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.229 0.538 . . . . 0.0 111.496 -176.714 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.439 HD11 ' SD ' ' A' ' 101' ' ' MET . 7.4 pt . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 121.133 0.492 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.62 ' CH2' ' HG2' ' A' ' 66' ' ' MET . 77.0 m95 -88.33 31.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.438 -177.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.3 m -64.39 -38.78 92.24 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 171.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -132.28 136.88 28.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.543 174.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.53 -33.99 44.16 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.831 2.354 . . . . 0.0 112.738 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -71.94 -33.27 68.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 110.572 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.39 76.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.236 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.17 93.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.832 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.0 ttm -60.56 -26.77 67.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.063 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.5 m -65.58 -35.57 81.21 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.969 0.414 . . . . 0.0 110.302 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.82 -39.93 79.77 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 176.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -61.52 -42.47 98.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.929 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -68.77 -42.68 77.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.146 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -64.5 -34.36 78.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.496 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.694 HD22 HD11 ' A' ' 97' ' ' LEU . 32.1 mt -58.72 -39.35 80.6 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.89 0.376 . . . . 0.0 110.964 176.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.2 t -70.15 -36.98 70.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.062 0.458 . . . . 0.0 110.382 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -68.1 -45.45 73.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.558 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 29.2 p -68.81 -34.6 75.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.719 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB2' HD12 ' A' ' 32' ' ' LEU . . . -65.65 -40.7 92.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.153 0.502 . . . . 0.0 111.051 175.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.5 t -69.38 -34.62 74.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.045 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.558 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 12.5 ptm180 -85.24 -11.0 55.89 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.249 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 p -90.84 -41.78 11.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.958 0.408 . . . . 0.0 109.95 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.68 23.15 78.02 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.466 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.401 HG13 HD13 ' A' ' 32' ' ' LEU . 13.7 p -88.0 -17.0 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.264 0.554 . . . . 0.0 110.424 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 26' ' ' ALA . 5.2 mp -95.39 161.56 14.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.46 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.9 p -93.41 176.64 6.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.59 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.26 83.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.651 0.262 . . . . 0.0 111.211 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -59.35 -54.1 50.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.194 0.521 . . . . 0.0 109.737 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.617 ' HB3' HG13 ' A' ' 77' ' ' VAL . 50.1 mt-30 -60.42 -46.23 90.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.047 -0.978 . . . . 0.0 111.406 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 86.2 mmm -63.49 -34.25 77.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.581 -177.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -73.2 -34.92 66.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.448 -178.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' A' ' 42' ' ' MET . 10.1 m-20 -65.2 -40.8 94.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.492 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.424 ' O ' ' HB3' ' A' ' 43' ' ' MET . 87.1 mtp -66.73 -36.4 82.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.952 0.406 . . . . 0.0 110.392 176.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.92 -45.72 93.38 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.676 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.55 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -74.24 -17.61 60.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.322 . . . . 0.0 110.372 179.443 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.43 ' O ' HG23 ' A' ' 47' ' ' VAL . 49.3 ttp -65.02 -46.8 79.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.193 0.521 . . . . 0.0 109.723 172.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.86 -31.86 73.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.534 0.683 . . . . 0.0 109.962 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.55 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 21.4 t70 -67.58 -46.1 73.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.565 178.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 p -65.8 -42.1 91.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.479 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.533 HG12 ' SD ' ' A' ' 66' ' ' MET . 73.0 t -61.47 -42.73 95.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.133 177.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -66.53 -48.25 70.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.866 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.8 p -64.08 -44.1 93.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 110.971 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.54 ' OE1' ' HB3' ' B' ' 46' ' ' SER . 0.0 OUTLIER -59.84 -46.37 89.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.825 175.743 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.446 ' HB2' ' O ' ' A' ' 47' ' ' VAL . 5.1 tmm? -56.27 -52.91 62.77 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.914 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -68.55 -26.25 65.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.692 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -71.88 -22.99 61.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.064 0.459 . . . . 0.0 111.01 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 73.5 mtm -92.15 -35.14 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.231 0.538 . . . . 0.0 110.041 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.25 -173.38 25.18 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.151 176.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.36 137.8 62.46 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.623 2.216 . . . . 0.0 111.8 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.5 m120 56.11 71.86 1.12 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.389 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -75.51 163.04 34.93 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 123.149 2.566 . . . . 0.0 112.533 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -65.46 143.98 77.92 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.657 2.238 . . . . 0.0 112.449 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.453 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 21.1 mt-30 -79.8 -29.08 40.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.349 -172.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.447 ' HE1' ' OD2' ' B' ' 38' ' ' ASP . 26.1 p80 -61.8 -38.03 86.58 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.142 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.401 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 63.8 mtt180 -68.91 -31.15 69.85 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.109 176.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.6 -31.33 71.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.135 176.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 57.4 mtm180 -59.98 -55.24 36.44 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.604 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -63.45 -36.21 82.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.3 -178.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.62 ' HG2' ' CH2' ' A' ' 9' ' ' TRP . 33.5 ttm -69.19 -33.57 73.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.421 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -54.67 -50.92 67.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.091 0.472 . . . . 0.0 110.562 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.489 HG22 ' HB2' ' B' ' 72' ' ' ALA . 6.7 m -72.12 -29.21 63.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.782 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.24 -53.51 55.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.841 0.353 . . . . 0.0 110.252 175.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.8 ttt -57.75 -45.68 85.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.78 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.16 97.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.573 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.499 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -71.58 -33.23 68.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.43 -178.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 41.5 mt-10 -60.03 -46.22 90.22 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 176.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.67 -45.93 96.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.669 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.71 94.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.974 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 21.5 tp10 -57.79 -48.29 80.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.366 176.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.617 HG13 ' HB3' ' A' ' 36' ' ' GLN . 56.9 t -57.92 -45.3 87.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.56 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -77.59 -47.19 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.801 -175.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.434 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . . . -64.54 -43.83 92.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.788 0.328 . . . . 0.0 111.786 -174.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.2 m -87.71 72.95 9.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.477 0.656 . . . . 0.0 110.612 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.463 ' HB2' ' HD2' ' A' ' 82' ' ' PRO . 59.5 p -137.67 174.48 4.29 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.107 -0.951 . . . . 0.0 108.91 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 81' ' ' SER . 46.6 Cg_exo -56.96 139.72 90.45 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 121.898 1.732 . . . . 0.0 110.831 173.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.05 -12.03 33.65 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.37 2.047 . . . . 0.0 112.371 -172.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -96.48 -14.71 22.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.078 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 t -108.92 -16.49 14.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.8 -176.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.434 ' CE1' ' HA ' ' A' ' 79' ' ' ALA . 45.3 t80 -49.64 -51.4 38.03 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.021 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.8 t -64.17 -32.87 74.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.748 0.308 . . . . 0.0 110.979 -177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.29 -45.05 50.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.623 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.418 HG11 ' HG ' ' A' ' 32' ' ' LEU . 94.1 t -63.5 -43.63 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.116 177.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.08 -49.93 76.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.509 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -58.93 -36.53 74.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.683 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.6 m -65.93 -49.69 67.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.287 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 93' ' ' ILE . 2.3 mm -66.12 -45.7 89.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.511 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.48 -35.2 90.7 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.754 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.16 -40.24 53.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.832 0.348 . . . . 0.0 110.371 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.5 ' SG ' HD23 ' A' ' 22' ' ' LEU . 47.6 t -67.67 -33.94 75.93 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -178.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.694 HD11 HD22 ' A' ' 22' ' ' LEU . 1.5 mp -51.64 -46.42 63.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.091 0.472 . . . . 0.0 110.94 177.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 45.3 ttt-85 -63.38 -51.3 66.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.467 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 13.8 mm-40 -62.72 -47.46 83.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.173 -178.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.9 m -55.57 -39.27 70.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.701 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.439 ' SD ' HD11 ' A' ' 8' ' ' ILE . 15.7 mmt -65.93 -40.87 91.78 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.613 177.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 34.3 ttm -70.77 -29.39 65.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.14 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 87.1 mm-40 -80.22 -24.73 40.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.943 0.401 . . . . 0.0 110.581 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.43 -59.76 2.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.227 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 64.5 p -96.86 -41.05 8.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.907 0.384 . . . . 0.0 110.992 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 122.06 -15.94 8.8 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.683 -177.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.7 m -129.63 160.25 33.9 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.3 t -84.9 106.84 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.803 0.335 . . . . 0.0 111.314 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -78.95 114.99 18.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -90.18 -15.07 32.21 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 -177.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.68 -49.81 67.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.06 -176.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.404 ' O ' HG21 ' A' ' 116' ' ' VAL . 85.0 t80 -72.24 -46.95 53.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.351 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.555 HG22 ' HB3' ' A' ' 97' ' ' LEU . 24.9 m -58.24 -43.19 87.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.497 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 12.3 t30 -63.6 -39.49 94.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.749 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.61 -47.3 76.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.793 -176.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.533 ' HA ' HD13 ' A' ' 119' ' ' LEU . 53.8 t -60.01 -39.9 81.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.358 -177.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.624 ' HA ' ' HE1' ' A' ' 117' ' ' MET . 28.3 mmt -64.69 -35.6 81.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -177.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 114' ' ' ASN . 36.8 mt-30 -74.68 -41.06 60.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.929 0.395 . . . . 0.0 110.003 177.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 116' ' ' VAL . 21.2 mt -55.91 -49.38 73.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.2 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.7 p -69.67 -33.07 54.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.125 -0.488 . . . . 0.0 112.0 -173.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -75.93 -26.74 57.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.786 0.326 . . . . 0.0 110.795 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.474 ' HE1' HD21 ' B' ' 119' ' ' LEU . 43.5 ttp -80.95 -40.72 24.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.175 176.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 123' ' ' LEU . 0.2 OUTLIER -65.38 -33.71 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.493 -179.111 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.552 -176.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' B' ' 15' ' ' ALA . 1.2 pt . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.901 0.382 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -78.92 14.34 1.41 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.26 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -66.83 -34.34 77.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.17 0.51 . . . . 0.0 109.999 173.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -118.49 114.2 36.32 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.734 172.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -57.66 -34.09 97.62 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.758 2.305 . . . . 0.0 111.751 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -65.76 -43.44 88.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.597 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.95 -44.45 80.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.504 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.476 ' HA ' HD12 ' B' ' 8' ' ' ILE . . . -60.86 -42.45 97.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.758 177.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 43.6 ttm -63.34 -31.46 72.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.627 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 31.3 m -63.61 -35.66 81.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.048 0.452 . . . . 0.0 110.061 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 1.006 ' HE3' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -66.69 -43.21 85.01 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 176.029 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -61.75 -45.28 94.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.102 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.417 ' O ' ' HG3' ' B' ' 24' ' ' GLN . 89.3 m-20 -66.6 -40.98 89.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.083 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -62.14 -36.74 82.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.094 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.618 HD23 HD12 ' B' ' 97' ' ' LEU . 31.1 mt -58.88 -46.68 87.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.944 0.402 . . . . 0.0 111.259 177.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 46.3 t -66.77 -36.02 76.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.912 0.387 . . . . 0.0 110.251 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.557 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 49.9 mt-30 -65.91 -50.99 62.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.095 177.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 21.5 p -66.7 -33.84 76.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.965 0.412 . . . . 0.0 110.674 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.71 -43.13 80.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.058 0.456 . . . . 0.0 110.459 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 48.3 t -60.6 -36.94 79.78 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.1 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 8.1 ptm180 -88.21 0.92 55.52 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.3 p -87.88 -41.54 13.14 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.186 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.52 11.25 84.33 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.068 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.426 HG11 HG22 ' B' ' 89' ' ' VAL . 6.9 t -89.81 -26.76 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.152 0.501 . . . . 0.0 110.247 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.4 HD13 ' N ' ' B' ' 32' ' ' LEU . 6.3 mp -95.51 151.31 19.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.886 -176.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' THR . . . . . 0.507 ' HG1' ' CG ' ' B' ' 35' ' ' ASP . 34.5 p -88.65 178.48 6.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.607 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.08 -36.05 82.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.923 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.507 ' CG ' ' HG1' ' B' ' 33' ' ' THR . 4.0 p-10 -66.86 -51.36 56.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.468 176.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -58.04 -46.69 84.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.392 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' MET . . . . . 0.407 ' O ' ' HG3' ' B' ' 40' ' ' MET . 60.7 mmm -63.64 -41.07 98.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.095 -177.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.447 ' OD2' ' HE1' ' A' ' 61' ' ' HIS . 37.8 t70 -73.88 -25.48 60.06 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.403 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -63.32 -57.03 11.72 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.083 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.537 ' O ' ' HB3' ' B' ' 43' ' ' MET . 0.1 OUTLIER -65.41 -28.45 69.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.487 176.332 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.08 -45.48 95.4 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 121.049 -0.596 . . . . 0.0 111.874 175.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.557 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 11.3 ptt? -75.64 -17.85 59.87 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' MET . . . . . 0.544 ' O ' HG23 ' B' ' 47' ' ' VAL . 50.5 ttp -60.13 -54.45 45.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.66 88.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.442 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.557 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 28.4 t70 -66.65 -39.27 88.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.966 -177.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.54 ' HB3' ' OE1' ' A' ' 50' ' ' GLN . 13.0 p -69.31 -44.07 72.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.575 0.226 . . . . 0.0 110.967 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.544 HG23 ' O ' ' B' ' 43' ' ' MET . 34.7 t -59.31 -41.12 83.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-O 121.434 0.635 . . . . 0.0 109.307 174.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -61.88 -56.18 22.02 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.591 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 11.2 p -66.7 -38.75 87.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.784 -175.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.55 -37.86 89.01 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.927 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.413 ' HE2' ' HG3' ' B' ' 58' ' ' PRO . 56.9 mmm -61.23 -39.57 90.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.496 176.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -63.72 -46.33 85.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.676 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.415 ' HE3' ' HB3' ' B' ' 53' ' ' LYS . 19.9 mtpp -60.84 -46.96 88.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.748 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' MET . . . . . 0.405 ' SD ' ' HD3' ' B' ' 62' ' ' ARG . 70.1 mtm -69.16 -41.63 76.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.953 0.406 . . . . 0.0 110.269 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.81 -158.24 38.63 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.53 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.5 141.98 63.32 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.659 2.239 . . . . 0.0 111.887 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 16.5 m120 59.04 69.98 1.24 Allowed Pre-proline 0 N--CA 1.465 0.314 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.96 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . 0.413 ' HG3' ' HE2' ' B' ' 51' ' ' MET . 66.0 Cg_endo -88.86 165.62 5.97 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.808 2.338 . . . . 0.0 112.593 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.44 111.06 1.97 Allowed 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.651 2.234 . . . . 0.0 111.638 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -68.14 -21.94 64.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.726 -175.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.707 ' O ' ' HB2' ' B' ' 64' ' ' ARG . 5.3 p80 -70.45 -25.24 63.09 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.127 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.525 ' O ' ' HG2' ' B' ' 66' ' ' MET . 61.1 ttt180 -72.34 -30.67 64.95 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 176.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.04 -36.67 84.77 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 0.707 ' HB2' ' O ' ' B' ' 61' ' ' HIS . 3.0 mtp85 -51.4 -54.26 28.39 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.334 172.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.974 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -66.36 -40.92 90.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.787 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.525 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 94.3 mmm -63.33 -29.81 71.05 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.63 -177.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -55.14 -56.25 21.99 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.11 0.481 . . . . 0.0 110.637 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.499 HG22 ' HB1' ' A' ' 72' ' ' ALA . 91.7 m -72.58 -28.15 62.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.035 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -60.35 -54.16 49.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.493 176.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.7 ttt -57.62 -45.32 85.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.002 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.24 -43.12 99.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.358 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.489 ' HB2' HG22 ' A' ' 68' ' ' THR . . . -70.94 -36.66 72.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.287 -178.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.532 ' O ' HG21 ' B' ' 77' ' ' VAL . 50.6 mt-10 -62.23 -44.55 96.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.425 178.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.419 ' O ' HG21 ' B' ' 78' ' ' VAL . 43.6 t -59.64 -47.54 90.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.76 0.314 . . . . 0.0 110.437 175.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.42 86.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.779 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.604 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 45.2 tp10 -61.24 -48.25 82.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.536 176.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.532 HG21 ' O ' ' B' ' 73' ' ' GLU . 85.2 t -57.9 -41.95 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.419 HG21 ' O ' ' B' ' 74' ' ' VAL . 74.0 t -70.71 -47.83 61.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.212 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.85 -31.2 72.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.752 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 5.3 m -85.56 73.22 10.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.4 0.619 . . . . 0.0 110.483 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 72.8 p -153.95 163.53 23.66 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.007 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -62.02 146.47 96.22 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.829 1.686 . . . . 0.0 111.012 175.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -55.44 -32.64 82.91 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 111.884 -176.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -71.98 -22.1 61.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.596 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.448 ' O ' HG21 ' B' ' 89' ' ' VAL . 63.5 m -109.7 -19.02 13.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.611 -174.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -50.12 -46.76 54.06 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.671 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 47.7 t -61.24 -40.95 95.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.756 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.54 -42.2 74.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.958 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.448 HG21 ' O ' ' B' ' 85' ' ' SER . 46.8 t -63.41 -45.4 98.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.71 -50.83 72.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.546 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.58 -34.41 76.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.936 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 60.8 m -66.44 -51.42 57.11 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.18 0.514 . . . . 0.0 110.268 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' B' ' 93' ' ' ILE . 1.8 mm -64.85 -48.35 84.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.348 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.54 -38.36 80.36 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.934 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.19 -36.41 58.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.98 0.419 . . . . 0.0 110.598 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' CYS . . . . . 0.434 ' SG ' HD21 ' B' ' 22' ' ' LEU . 52.9 t -67.97 -32.91 73.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.394 -176.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 1.006 ' HG ' ' HE3' ' B' ' 18' ' ' MET . 6.0 mp -59.79 -42.75 94.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.669 0.271 . . . . 0.0 111.215 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' B' ' 98' ' ' ARG . 23.8 ttt85 -66.87 -37.5 84.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.952 0.406 . . . . 0.0 110.376 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.74 -52.33 26.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.029 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 70.2 m -55.08 -37.57 66.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.525 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.503 ' HE2' ' HE1' ' B' ' 18' ' ' MET . 17.8 mmt -64.85 -44.63 89.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.754 0.312 . . . . 0.0 110.619 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 14.6 ttm -70.36 -23.8 62.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.994 0.426 . . . . 0.0 111.021 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -89.29 -12.15 41.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.541 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -106.49 -53.91 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 111.464 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.42 HG21 ' HB ' ' B' ' 8' ' ' ILE . 61.6 p -105.41 -23.0 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.18 0.514 . . . . 0.0 110.82 -177.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 98.46 -14.15 62.32 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.557 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 13.0 m -121.15 160.16 24.33 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -177.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 58.9 t -96.91 106.25 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.9 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . 0.503 ' HB3' ' HE1' ' B' ' 101' ' ' MET . 11.3 t0 -73.61 98.73 2.91 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 172.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -80.14 -19.29 47.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.688 -176.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.41 -49.33 67.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.898 0.38 . . . . 0.0 110.372 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -66.59 -50.68 62.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.072 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.514 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 19.8 m -54.65 -47.55 73.41 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.158 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . 0.475 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 11.1 t30 -66.41 -38.13 86.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.676 0.274 . . . . 0.0 110.664 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . 0.426 ' HA ' HE21 ' B' ' 118' ' ' GLN . 9.2 tp10 -61.65 -45.26 94.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.608 -178.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.497 ' HA ' HD12 ' B' ' 119' ' ' LEU . 95.2 t -60.32 -38.77 78.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.993 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.58 ' HA ' ' HE2' ' B' ' 117' ' ' MET . 30.4 mmt -64.01 -36.61 84.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 36.0 mt-30 -72.09 -43.83 64.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' B' ' 116' ' ' VAL . 12.2 mt -54.52 -54.67 38.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.166 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.99 -32.07 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.616 -173.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -74.89 -34.54 62.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.483 ' HE1' HD21 ' A' ' 119' ' ' LEU . 45.6 ttp -69.34 -41.48 76.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.35 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.37 -32.8 74.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.777 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 34.1 t -81.39 -0.31 40.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.168 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 120.999 0.428 . . . . 0.0 110.387 178.792 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.483 HG21 HG22 ' A' ' 105' ' ' THR . 11.6 pt . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.465 ' O ' HD13 ' A' ' 63' ' ' LEU . 41.4 m95 -78.35 25.61 0.23 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -177.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -85.83 -19.03 31.24 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 169.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -123.48 113.43 29.12 Favored Pre-proline 0 N--CA 1.455 -0.221 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.774 174.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -68.04 -32.76 27.35 Favored 'Trans proline' 0 C--N 1.333 -0.276 0 C-N-CA 122.639 2.226 . . . . 0.0 112.945 -171.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -77.29 -32.03 55.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.748 0.309 . . . . 0.0 110.8 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.58 -44.27 87.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.105 0.478 . . . . 0.0 109.867 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.13 -41.03 95.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.622 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 42.7 ttm -59.54 -33.19 71.08 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.992 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.6 m -65.04 -38.29 90.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.325 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.522 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -64.1 -38.37 90.83 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.826 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.507 ' HA ' ' HE1' ' A' ' 70' ' ' MET . 1.4 m -63.18 -46.99 84.5 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.737 177.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -66.12 -44.23 84.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.764 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -60.58 -33.59 72.94 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.344 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.68 HD21 HD13 ' A' ' 97' ' ' LEU . 48.8 mt -62.69 -43.61 98.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.744 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.1 t -65.46 -38.84 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.441 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -63.6 -44.02 95.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.583 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.1 t -59.38 -49.09 79.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.847 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.18 92.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.025 0.44 . . . . 0.0 111.055 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.1 t -70.68 -28.86 65.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.601 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -87.38 -32.61 19.49 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.884 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 p -71.87 -48.69 44.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.023 0.44 . . . . 0.0 110.471 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.25 13.14 81.59 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.198 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.601 HG11 HD12 ' A' ' 32' ' ' LEU . 14.0 p -78.7 -19.11 13.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.205 0.526 . . . . 0.0 109.999 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.601 HD12 HG11 ' A' ' 31' ' ' VAL . 6.3 mp -88.34 156.31 19.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.299 177.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.6 p -87.03 171.17 10.93 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.768 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.22 -39.16 81.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.828 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.82 -51.24 70.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.064 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.499 ' HB3' HG11 ' A' ' 77' ' ' VAL . 53.2 mt-30 -63.15 -39.95 96.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.06 -178.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 82.9 mmm -64.26 -41.23 97.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.833 -178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -70.47 -34.62 72.6 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.674 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -63.31 -44.5 94.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.234 0.54 . . . . 0.0 109.804 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 56.5 mmm -60.06 -41.83 93.22 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.423 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.72 -44.43 97.92 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.243 177.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.602 ' SD ' ' HG3' ' B' ' 62' ' ' ARG . 45.3 ttp -63.76 -31.79 73.08 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 121.241 -0.184 . . . . 0.0 110.839 178.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.446 ' O ' HG21 ' A' ' 47' ' ' VAL . 45.0 ttp -58.46 -52.35 66.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.926 0.393 . . . . 0.0 110.35 176.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.38 89.17 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.312 0.577 . . . . 0.0 110.779 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.24 -40.69 90.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.46 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.5 t -59.69 -47.93 83.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.701 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.485 ' O ' ' HG2' ' A' ' 51' ' ' MET . 6.4 t -61.87 -40.12 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -63.47 -52.03 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.326 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -61.36 -36.93 81.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.507 -173.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.565 ' O ' ' HG2' ' A' ' 54' ' ' MET . 15.6 mm100 -70.33 -32.4 70.11 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.015 178.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 93.6 mmm -66.8 -36.22 81.87 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.628 179.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -80.26 -17.75 51.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.986 0.422 . . . . 0.0 110.674 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HZ1' ' CG ' ' B' ' 45' ' ' ASP . 3.0 mmmm -73.67 -38.13 65.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.294 0.569 . . . . 0.0 110.126 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.565 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 21.0 ptp -94.61 -165.72 1.36 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.591 -174.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -111.45 -162.52 17.33 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.249 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -76.98 -10.59 18.07 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.99 2.46 . . . . 0.0 113.189 -176.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -139.58 77.77 27.74 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.722 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.534 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 58.5 Cg_endo -71.23 162.49 42.33 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.976 2.451 . . . . 0.0 112.611 175.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.407 ' O ' ' HB3' ' A' ' 62' ' ' ARG . 40.1 Cg_endo -67.16 151.56 81.14 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.706 2.271 . . . . 0.0 111.802 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -69.35 -28.92 66.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.355 -175.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.604 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 19.9 p80 -66.71 -25.46 66.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.933 0.397 . . . . 0.0 110.476 178.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.521 ' NH1' ' HG3' ' A' ' 66' ' ' MET . 0.2 OUTLIER -61.95 -36.47 81.53 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 175.623 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 9' ' ' TRP . 66.8 mt -75.59 -36.89 60.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.703 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.604 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 28.3 ptt180 -68.94 -37.08 78.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.687 -178.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.01 -46.19 58.14 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.014 0.435 . . . . 0.0 111.032 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.521 ' HG3' ' NH1' ' A' ' 62' ' ' ARG . 96.0 mmm -69.19 -24.04 63.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.839 -178.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -56.69 -51.06 70.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.136 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.472 HG23 ' HB2' ' B' ' 72' ' ' ALA . 7.6 m -71.85 -36.85 70.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.498 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -58.77 -51.04 71.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.634 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.507 ' HE1' ' HA ' ' A' ' 19' ' ' THR . 21.1 ttt -58.86 -46.48 87.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.733 0.301 . . . . 0.0 110.85 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.85 95.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.465 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.469 ' HB2' HG23 ' B' ' 68' ' ' THR . . . -65.68 -34.82 79.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.573 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.475 ' O ' HG21 ' A' ' 77' ' ' VAL . 43.9 mt-10 -62.87 -49.67 73.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.024 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.8 t -57.07 -43.27 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 121.05 0.452 . . . . 0.0 110.672 177.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.42 98.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.989 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.659 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 44.7 tp10 -58.98 -37.28 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.224 176.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.499 HG11 ' HB3' ' A' ' 36' ' ' GLN . 59.3 t -65.54 -38.62 82.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.329 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.401 HG13 ' HA ' ' A' ' 90' ' ' LEU . 25.3 t -87.52 -40.94 14.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.445 ' HB2' HG21 ' A' ' 120' ' ' VAL . . . -66.28 -24.34 66.55 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -173.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.7 p -91.16 7.58 39.94 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 95.4 p -88.74 158.68 47.56 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.467 -177.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.12 141.45 96.46 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.49 2.127 . . . . 0.0 111.332 176.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.71 -16.15 53.06 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.499 2.133 . . . . 0.0 112.204 -173.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -80.41 -7.79 59.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.994 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.5 m -136.96 1.49 2.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.028 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -57.6 -51.89 67.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.17 -178.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 p -66.19 -33.81 76.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.185 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.87 -52.46 50.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.814 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.435 HG12 ' HG ' ' A' ' 32' ' ' LEU . 68.4 t -62.57 -42.02 94.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.347 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.836 HD13 HG13 ' A' ' 120' ' ' VAL . 28.3 tp -63.0 -43.47 98.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.828 -178.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -65.1 -37.73 88.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.649 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 73.9 m -64.58 -47.14 79.79 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.077 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.5 mm -64.09 -49.44 81.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 177.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.61 -42.39 96.11 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.335 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -67.18 -45.42 77.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.904 0.383 . . . . 0.0 110.867 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 69.3 m -72.33 -22.18 61.21 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.883 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.68 HD13 HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -56.69 -50.5 71.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.599 0.714 . . . . 0.0 109.335 172.611 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.435 ' HA ' ' CG2' ' A' ' 108' ' ' VAL . 29.0 ttt180 -57.4 -49.15 77.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.939 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 36.2 mt-10 -68.95 -40.73 78.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.407 -176.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.8 m -56.82 -45.62 82.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.342 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.418 ' SD ' ' HG3' ' A' ' 18' ' ' MET . 15.0 mmt -62.58 -40.58 97.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.946 0.403 . . . . 0.0 110.459 177.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 34.1 ttm -71.4 -26.71 62.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.157 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -82.88 -27.76 30.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.787 0.327 . . . . 0.0 110.883 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.51 -60.53 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.266 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.483 HG22 HG21 ' A' ' 8' ' ' ILE . 69.8 p -97.39 -36.74 10.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.996 0.427 . . . . 0.0 111.068 -176.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.33 -9.37 8.31 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 -176.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.5 p -149.22 160.3 43.5 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.435 ' CG2' ' HA ' ' A' ' 98' ' ' ARG . 2.7 p -93.69 119.45 41.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.109 0.48 . . . . 0.0 112.088 -175.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -76.93 134.85 38.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.413 173.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -86.85 -28.7 22.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.45 -51.59 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 111.318 -175.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -71.53 -44.58 64.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -178.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.526 ' HA ' HD22 ' A' ' 97' ' ' LEU . 30.1 m -61.69 -41.87 98.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -66.85 -41.77 86.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.492 178.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -55.91 -48.53 75.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.011 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.27 -39.46 80.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.308 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.538 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 30.4 mmt -68.35 -36.36 79.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.064 0.459 . . . . 0.0 110.465 -176.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -74.4 -38.27 63.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.707 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.486 HD23 ' HE1' ' B' ' 122' ' ' MET . 13.9 mt -60.04 -52.12 66.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.114 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.836 HG13 HD13 ' A' ' 90' ' ' LEU . 13.8 p -63.84 -33.25 60.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.534 -174.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -67.59 -49.24 64.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.361 176.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.497 ' HE3' HD23 ' B' ' 119' ' ' LEU . 34.8 ttp -65.43 -38.98 91.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.534 -177.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.461 HD21 HG21 ' B' ' 68' ' ' THR . 6.7 mp -62.55 -22.82 66.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 0.0 111.404 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.8 t . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.879 -178.449 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.734 0.302 . . . . 0.0 111.568 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -73.22 71.28 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.376 0.608 . . . . 0.0 111.989 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.9 p -128.93 -1.13 5.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.805 172.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -136.22 128.74 17.56 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.767 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -69.66 -43.92 2.45 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.528 2.152 . . . . 0.0 112.327 -175.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -66.57 -40.2 88.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.058 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.3 94.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.706 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.09 -42.21 89.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.815 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 43.8 ttm -59.61 -32.32 70.3 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.811 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 50.8 m -62.0 -40.62 96.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.321 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.501 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.99 -40.6 96.74 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.373 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.28 -44.55 96.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.722 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -65.84 -44.35 85.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.85 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -61.67 -32.57 72.76 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.263 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.729 HD22 HD12 ' B' ' 97' ' ' LEU . 40.0 mt -62.83 -42.59 99.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.762 0.315 . . . . 0.0 111.224 177.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 82.4 t -63.99 -39.41 85.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.476 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -60.08 -47.01 87.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.186 175.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 4.0 t -56.81 -49.53 75.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.286 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.0 90.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.913 0.387 . . . . 0.0 111.179 -178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 44.8 t -69.15 -38.83 79.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.002 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -83.49 -12.4 56.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.585 0.231 . . . . 0.0 111.393 -177.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.491 ' HB2' HG21 ' B' ' 31' ' ' VAL . 26.5 p -91.41 -41.63 10.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.87 0.366 . . . . 0.0 110.608 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.88 16.22 80.55 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.455 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.491 HG21 ' HB2' ' B' ' 29' ' ' SER . 29.5 t -77.56 -32.93 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.219 0.533 . . . . 0.0 110.379 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.535 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.5 mp -94.02 153.79 17.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.87 -175.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 40.9 p -87.83 175.01 8.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.709 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.45 -40.47 78.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.736 0.303 . . . . 0.0 111.159 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.56 ' O ' ' HB2' ' B' ' 39' ' ' ASP . 32.3 t70 -60.71 -39.88 90.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.751 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.535 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 51.8 mt-30 -75.83 -40.27 55.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.803 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 80.3 mmm -63.66 -47.96 79.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.0 -29.56 68.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.019 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.56 ' HB2' ' O ' ' B' ' 35' ' ' ASP . 2.4 t0 -64.11 -50.1 69.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.98 175.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.45 ' O ' ' HB3' ' B' ' 43' ' ' MET . 85.9 mtp -64.73 -30.65 71.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.689 176.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.58 -44.24 96.83 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.879 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 47.2 ttp -65.17 -30.59 71.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 0.0 110.363 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' MET . . . . . 0.45 ' HB3' ' O ' ' B' ' 40' ' ' MET . 43.3 ttp -59.17 -52.35 66.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.641 175.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.68 94.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.118 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.459 ' CG ' ' HZ1' ' A' ' 53' ' ' LYS . 12.3 t70 -57.59 -45.17 85.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.04 177.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -56.9 -49.24 76.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 31.7 t -62.96 -43.81 99.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.832 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -64.37 -41.23 96.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.519 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.406 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 36.9 m -65.28 -45.83 82.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 -177.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.88 -35.6 81.64 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.959 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.44 ' HE1' ' HB3' ' B' ' 51' ' ' MET . 15.0 tmm? -57.16 -49.4 76.06 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.324 176.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -78.73 -14.35 59.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 111.368 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' B' ' 49' ' ' SER . 8.3 mmmm -71.13 -13.67 62.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.146 0.498 . . . . 0.0 110.623 173.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' MET . . . . . 0.428 ' SD ' ' HD2' ' B' ' 62' ' ' ARG . 72.2 mtm -118.58 -175.58 2.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.514 -177.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -119.64 -168.05 13.8 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.0 141.34 96.2 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.876 2.384 . . . . 0.0 112.624 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 59.57 83.62 0.21 Allowed Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.248 -177.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -86.91 159.09 8.81 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.036 2.491 . . . . 0.0 112.227 178.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.401 ' HG2' ' CB ' ' B' ' 62' ' ' ARG . 17.8 Cg_endo -61.0 137.78 74.29 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.992 2.462 . . . . 0.0 112.157 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -75.28 -35.33 61.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.935 -174.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.826 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 30.4 p80 -63.42 -27.57 69.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.408 0.623 . . . . 0.0 109.984 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.602 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 28.7 ttm180 -70.34 -27.1 64.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.199 0.523 . . . . 0.0 109.692 178.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 98.3 mt -74.92 -37.21 62.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.678 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 0.826 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 25.5 ptt180 -61.55 -37.48 83.93 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.659 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -67.68 -46.82 71.23 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.982 178.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 97.1 mmm -65.24 -30.89 71.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.84 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . 0.413 ' HB3' ' O ' ' B' ' 64' ' ' ARG . 8.9 t-20 -53.27 -55.18 26.66 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.931 176.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.469 HG23 ' HB2' ' A' ' 72' ' ' ALA . 20.5 m -72.35 -28.3 62.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.933 -177.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -61.71 -54.57 40.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.552 176.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 18.8 ttt -57.83 -47.6 82.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.911 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.44 97.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.534 -178.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.472 ' HB2' HG23 ' A' ' 68' ' ' THR . . . -67.58 -37.03 82.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.334 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 44.6 mt-10 -63.3 -46.22 87.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.509 178.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.454 ' O ' HG22 ' B' ' 78' ' ' VAL . 67.6 t -58.51 -47.89 87.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.851 0.358 . . . . 0.0 110.61 176.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.3 87.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.028 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.98 -48.84 80.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.185 177.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.485 HG21 ' O ' ' B' ' 73' ' ' GLU . 84.0 t -60.48 -35.77 65.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.34 -178.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.454 HG22 ' O ' ' B' ' 74' ' ' VAL . 61.6 t -78.31 -41.25 25.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.965 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.404 ' HA ' ' CE2' ' B' ' 86' ' ' TYR . . . -71.18 -44.46 65.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.54 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 3.1 m -84.27 68.48 10.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.611 0.72 . . . . 0.0 110.406 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 83.3 p -139.8 165.87 28.02 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.965 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.52 140.7 74.9 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 121.917 1.745 . . . . 0.0 111.103 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.07 -11.77 32.56 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.273 1.982 . . . . 0.0 111.863 -174.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -96.77 -6.47 36.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.716 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.434 ' O ' HG22 ' B' ' 89' ' ' VAL . 28.6 m -117.21 -13.9 10.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 -177.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . 0.433 ' OH ' HG21 ' B' ' 120' ' ' VAL . 17.9 t80 -48.34 -59.55 3.36 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.551 -178.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 9.3 m -59.87 -41.51 91.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.063 -174.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.82 -46.96 85.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.064 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.434 HG22 ' O ' ' B' ' 85' ' ' SER . 88.5 t -63.65 -43.89 98.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.384 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 tt -58.05 -49.36 77.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.417 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -60.85 -31.06 70.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.106 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 52.9 m -69.98 -57.6 4.82 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.095 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' B' ' 93' ' ' ILE . 3.2 mm -60.98 -45.54 98.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.248 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.95 -40.56 95.54 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 121.096 -0.573 . . . . 0.0 113.222 -177.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.16 -38.86 60.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.707 0.289 . . . . 0.0 111.23 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' CYS . . . . . 0.53 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 93.7 m -73.93 -27.09 60.85 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.325 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.729 HD12 HD22 ' B' ' 22' ' ' LEU . 0.8 OUTLIER -51.56 -40.31 59.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.394 0.616 . . . . 0.0 110.248 174.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.475 ' HG3' HG21 ' B' ' 108' ' ' VAL . 62.1 ttt-85 -66.16 -46.41 77.54 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.406 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.53 ' HG2' ' HA ' ' B' ' 96' ' ' CYS . 10.3 pt-20 -81.58 -30.79 32.87 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.599 -0.441 . . . . 0.0 111.781 -176.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 58.2 m -58.13 -42.49 85.91 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 120.718 0.295 . . . . 0.0 110.374 176.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.451 ' HE1' ' HB3' ' B' ' 109' ' ' ASP . 12.5 mmt -65.1 -41.57 94.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.3 175.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.44 ' HE1' ' HB2' ' B' ' 102' ' ' MET . 28.2 ttm -67.04 -28.49 68.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.133 -178.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -85.51 -16.95 37.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.976 0.417 . . . . 0.0 110.618 176.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.99 -47.66 7.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 70.1 p -110.75 -42.55 4.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.081 0.467 . . . . 0.0 111.071 -178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 130.7 -14.26 5.54 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -175.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 13.2 p -137.5 179.09 6.62 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.069 -0.565 . . . . 0.0 109.487 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.475 HG21 ' HG3' ' B' ' 98' ' ' ARG . 2.5 p -109.55 117.07 53.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.371 0.605 . . . . 0.0 111.79 -176.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . 0.451 ' HB3' ' HE1' ' B' ' 101' ' ' MET . 14.0 t0 -73.98 102.45 4.14 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.308 174.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -73.99 -27.6 61.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 -177.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.34 -50.27 68.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.913 0.387 . . . . 0.0 110.547 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . 0.49 ' O ' HG22 ' B' ' 116' ' ' VAL . 90.6 t80 -64.88 -47.48 77.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.04 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.52 ' HA ' HD21 ' B' ' 97' ' ' LEU . 33.4 m -57.31 -45.52 84.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.404 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -64.38 -42.73 95.99 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.405 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.14 -44.43 94.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.105 -177.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.526 ' HA ' HD11 ' B' ' 119' ' ' LEU . 60.9 t -60.09 -35.93 64.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.843 0.354 . . . . 0.0 110.943 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.559 ' HA ' ' HE2' ' B' ' 117' ' ' MET . 26.3 mmt -70.42 -35.16 73.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.999 0.428 . . . . 0.0 110.37 -177.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -71.18 -39.92 71.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.321 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' B' ' 116' ' ' VAL . 15.2 mt -58.15 -53.55 56.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.257 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . 0.433 HG21 ' OH ' ' B' ' 86' ' ' TYR . 14.1 p -63.44 -34.05 65.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.997 -176.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -65.46 -48.02 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.778 176.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.486 ' HE1' HD23 ' A' ' 119' ' ' LEU . 34.5 ttp -62.63 -37.36 86.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.682 -177.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 8.0 mp -61.53 -25.64 67.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.886 0.374 . . . . 0.0 111.198 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 34.3 t -102.66 6.13 39.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.908 0.385 . . . . 0.0 110.674 178.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.258 0.551 . . . . 0.0 111.168 -176.385 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.2 pt . . . . . 0 CA--C 1.533 0.299 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -76.61 78.33 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.711 0.767 . . . . 0.0 111.698 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.448 ' HA ' HD13 ' A' ' 63' ' ' LEU . 26.8 m -137.2 -34.36 0.72 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.811 171.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -101.54 114.85 65.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.277 171.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -59.69 -43.15 40.54 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.615 2.21 . . . . 0.0 111.814 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -68.11 -36.73 80.22 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.108 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.99 -41.8 95.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.457 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.52 86.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.379 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.51 ' HG2' ' ND2' ' A' ' 20' ' ' ASN . 42.0 ttm -60.89 -25.36 66.66 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.833 178.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.0 m -62.61 -41.0 98.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.194 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.809 ' SD ' ' HE3' ' A' ' 101' ' ' MET . 7.5 ttt -64.9 -42.42 94.78 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 175.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.41 ' O ' HG21 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -59.58 -44.26 93.4 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.857 -179.631 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.51 ' ND2' ' HG2' ' A' ' 16' ' ' MET . 28.8 m-80 -71.02 -45.54 63.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.366 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -61.06 -34.03 74.25 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.92 0.39 . . . . 0.0 110.613 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.65 HD11 HD11 ' A' ' 97' ' ' LEU . 12.2 tp -63.41 -48.64 76.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.207 177.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.449 HG22 ' HB3' ' A' ' 40' ' ' MET . 88.0 t -64.09 -41.34 92.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.772 178.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.655 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 47.2 mt-30 -60.39 -46.71 89.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.548 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.62 -48.44 77.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.761 0.315 . . . . 0.0 110.882 176.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.4 96.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.128 0.489 . . . . 0.0 111.079 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.2 t -66.85 -28.03 68.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.921 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.655 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 32.8 mtp180 -86.47 -45.11 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.491 ' HB2' HG23 ' A' ' 31' ' ' VAL . 19.0 p -58.63 -52.24 66.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.951 0.405 . . . . 0.0 110.563 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.71 19.51 70.61 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.279 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.491 HG23 ' HB2' ' A' ' 29' ' ' SER . 7.8 t -75.73 -26.41 17.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.681 0.753 . . . . 0.0 109.097 175.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.463 ' HG ' HG11 ' A' ' 89' ' ' VAL . 5.1 mp -93.99 152.31 18.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.376 -177.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.8 p -84.76 172.97 11.05 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.478 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.78 77.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.847 0.356 . . . . 0.0 110.836 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -60.61 -53.12 61.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.132 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.509 ' HB3' HG13 ' A' ' 77' ' ' VAL . 51.7 mt-30 -60.47 -38.92 85.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.817 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 78.3 mmm -64.9 -39.46 93.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.616 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.595 ' O ' ' HG2' ' A' ' 42' ' ' MET . 69.1 m-20 -64.4 -43.61 93.89 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.076 -0.249 . . . . 0.0 110.737 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -45.37 81.23 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.363 0.414 . . . . 0.0 110.762 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.501 ' O ' ' HB3' ' A' ' 43' ' ' MET . 90.4 mtp -70.08 -35.64 74.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.821 0.343 . . . . 0.0 111.174 178.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.85 -49.77 74.94 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.04 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.595 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 9.2 ptm -69.83 -20.82 63.42 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.222 -0.191 . . . . 0.0 111.121 178.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.501 ' HB3' ' O ' ' A' ' 40' ' ' MET . 54.0 ttp -59.26 -56.53 20.92 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 109.948 173.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.01 -39.64 90.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.567 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.558 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 6.5 t70 -59.16 -47.98 83.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.853 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.3 m -61.25 -41.32 96.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.833 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.503 ' HA ' ' HE1' ' A' ' 66' ' ' MET . 40.4 t -62.12 -36.3 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.277 0.56 . . . . 0.0 110.339 177.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.436 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 39.7 t-20 -66.02 -47.38 74.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.578 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 54.6 m -67.76 -25.94 65.87 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.57 ' O ' ' HG2' ' A' ' 54' ' ' MET . 16.7 mt-30 -81.99 -15.95 51.98 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.2 177.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.494 ' HA ' ' HG2' ' A' ' 54' ' ' MET . 34.2 mtp -74.35 -21.26 59.77 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 168.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -83.16 -27.85 29.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.476 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HE3' ' HB3' ' A' ' 53' ' ' LYS . 25.4 mmmt -67.48 -31.41 71.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.649 173.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.831 ' HB2' ' HB3' ' A' ' 58' ' ' PRO . 22.3 ptp -101.98 -165.73 1.22 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.629 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 58' ' ' PRO . . . -151.81 -147.58 4.61 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.368 -178.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -69.84 -14.15 35.44 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.372 2.715 . . . . 0.0 112.439 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -144.67 72.99 15.4 Favored Pre-proline 0 C--N 1.316 -0.873 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.83 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.831 ' HB3' ' HB2' ' A' ' 54' ' ' MET . 57.2 Cg_endo -71.4 159.03 52.76 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.82 2.347 . . . . 0.0 113.389 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.575 ' HG2' ' HG2' ' A' ' 62' ' ' ARG . 36.4 Cg_endo -66.84 129.43 20.87 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.925 2.417 . . . . 0.0 111.261 174.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -61.99 -20.02 63.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.843 -176.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.425 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 90.9 m-70 -62.11 -33.63 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.277 178.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.575 ' HG2' ' HG2' ' A' ' 59' ' ' PRO . 30.1 mmt180 -62.06 -42.57 99.33 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 10' ' ' THR . 93.9 mt -62.64 -48.91 77.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.035 -177.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 61' ' ' HIS . 4.0 ptm180 -64.34 -40.77 96.54 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.699 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.482 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -72.98 -44.71 60.74 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -177.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.504 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 79.0 mtp -71.71 -20.97 61.84 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.77 -176.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -55.59 -53.88 50.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.161 173.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.6 m -72.73 -34.04 66.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.624 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.468 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -59.31 -47.77 84.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.704 -178.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.1 ttt -61.53 -42.95 99.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.759 0.314 . . . . 0.0 110.866 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.442 ' HB2' HG22 ' A' ' 116' ' ' VAL . . . -64.74 -45.49 86.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.202 -178.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.515 ' HB1' HG21 ' B' ' 68' ' ' THR . . . -63.49 -37.28 86.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.529 ' O ' HG21 ' A' ' 77' ' ' VAL . 47.7 mt-10 -65.22 -37.05 86.06 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.79 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.25 -45.1 86.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.002 0.43 . . . . 0.0 110.553 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.59 97.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.507 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.47 ' OE1' ' HA ' ' B' ' 65' ' ' ALA . 10.7 pt-20 -62.29 -35.88 80.38 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.529 HG21 ' O ' ' A' ' 73' ' ' GLU . 49.7 t -66.4 -45.86 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.91 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.82 -41.54 92.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.695 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.18 -30.91 70.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.755 -179.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.0 m -82.43 71.46 9.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.562 0.696 . . . . 0.0 110.404 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.9 p -154.56 167.95 12.91 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.974 178.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.89 134.81 62.65 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.649 1.566 . . . . 0.0 110.109 172.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.69 -13.06 34.48 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.43 2.086 . . . . 0.0 112.31 -171.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -88.81 -23.2 22.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.775 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 t -104.6 -10.63 17.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.22 0.534 . . . . 0.0 109.793 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -45.58 -53.79 8.58 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.474 176.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.1 m -59.14 -36.19 74.82 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.326 -177.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.75 62.08 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.942 0.401 . . . . 0.0 110.681 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.463 HG11 ' HG ' ' A' ' 32' ' ' LEU . 63.7 t -62.09 -43.34 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.092 178.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.74 -49.04 77.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.256 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -59.56 -40.59 87.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.07 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.2 m -67.16 -48.91 66.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -178.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.483 HD11 ' HA ' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -63.79 -48.51 86.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.621 178.222 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.31 -43.35 75.6 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.503 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -69.39 -46.89 65.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.632 0.253 . . . . 0.0 111.02 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.1 m -70.02 -18.13 63.29 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -175.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.65 HD11 HD11 ' A' ' 22' ' ' LEU . 3.8 mp -63.35 -50.58 69.41 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.324 0.583 . . . . 0.0 109.728 172.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.517 ' HG3' HG21 ' A' ' 108' ' ' VAL . 68.9 ttt180 -59.99 -43.29 95.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.445 178.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 43.6 mt-10 -63.66 -50.26 69.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.983 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 71.6 m -55.18 -45.68 75.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.792 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.809 ' HE3' ' SD ' ' A' ' 18' ' ' MET . 13.3 mmt -59.41 -43.13 93.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.066 0.46 . . . . 0.0 111.012 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.5 ttm -69.12 -25.99 64.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.198 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -88.96 -24.05 22.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.774 0.321 . . . . 0.0 111.089 178.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.88 -56.84 3.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.458 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 80.5 p -107.71 -29.68 8.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.037 0.446 . . . . 0.0 111.0 -176.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.77 -13.11 32.38 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.4 m -127.58 147.37 50.34 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.517 HG21 ' HG3' ' A' ' 98' ' ' ARG . 3.4 p -96.78 117.16 40.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.264 0.554 . . . . 0.0 111.343 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -77.99 113.41 15.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.343 172.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -81.66 -21.54 38.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.917 -175.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.78 -51.44 68.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.89 0.376 . . . . 0.0 110.63 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.58 -51.75 57.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.342 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.511 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 20.1 m -51.44 -47.09 63.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.976 178.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.54 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 65.2 t30 -69.73 -40.99 75.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.548 0.213 . . . . 0.0 110.721 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -56.87 -43.46 81.23 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.97 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.456 HG23 HD23 ' A' ' 97' ' ' LEU . 93.9 t -62.45 -36.86 76.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.83 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.563 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 23.4 mmt -67.39 -36.48 81.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.035 0.445 . . . . 0.0 109.909 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 114' ' ' ASN . 79.6 mt-30 -66.89 -49.84 64.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.829 176.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.463 HD23 ' HE2' ' B' ' 122' ' ' MET . 29.3 mt -56.68 -50.09 73.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.859 -178.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.8 p -65.17 -32.61 59.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.603 -173.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -73.49 -39.67 64.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.198 0.523 . . . . 0.0 110.182 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.533 ' HE1' HD23 ' B' ' 119' ' ' LEU . 35.2 ttp -70.35 -36.98 74.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.472 -177.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 80.0 mt -74.03 0.48 13.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.204 0.526 . . . . 0.0 111.339 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--N 1.32 -0.679 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.915 174.332 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.59 ' HB ' HG23 ' B' ' 105' ' ' THR . 3.5 pt . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -79.23 29.35 0.22 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.137 0.494 . . . . 0.0 111.581 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.429 ' H ' ' C ' ' B' ' 8' ' ' ILE . 18.1 m -88.91 -18.99 26.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.449 173.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.471 ' HB3' ' HB1' ' B' ' 14' ' ' ALA . 21.9 t-20 -131.44 125.33 20.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.745 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -69.01 -44.8 2.34 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.498 2.132 . . . . 0.0 112.798 -176.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -66.95 -41.31 87.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.96 0.409 . . . . 0.0 110.5 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' B' ' 11' ' ' ASN . . . -63.08 -43.62 98.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.782 178.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . 0.464 ' HA ' HD13 ' B' ' 8' ' ' ILE . . . -65.98 -38.93 89.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.356 177.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 47.3 ttm -61.77 -25.31 67.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.88 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.3 m -66.22 -35.47 80.51 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 1.079 ' HE2' ' HG ' ' B' ' 97' ' ' LEU . 0.2 OUTLIER -64.73 -43.33 93.72 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 175.135 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.441 HG21 ' HE1' ' B' ' 43' ' ' MET . 0.2 OUTLIER -61.2 -43.82 98.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.698 177.72 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -64.79 -50.48 66.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.964 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -62.38 -30.23 71.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.587 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.67 HD11 HD13 ' B' ' 97' ' ' LEU . 13.8 tp -63.63 -49.06 74.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.629 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.509 HG22 ' HB3' ' B' ' 40' ' ' MET . 59.6 t -63.46 -41.3 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.348 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.457 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 50.2 mt-30 -59.23 -48.09 82.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.723 177.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 49.3 t -61.8 -34.53 76.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.886 0.374 . . . . 0.0 110.745 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.94 79.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.109 0.481 . . . . 0.0 110.955 177.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 30.4 t -72.23 -32.29 66.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.188 0.518 . . . . 0.0 110.353 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' B' ' 24' ' ' GLN . 58.8 mtp85 -71.6 -32.44 68.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.107 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.3 p -80.07 -49.79 11.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.469 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.87 26.8 52.56 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.694 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 20.2 t -84.37 -27.64 7.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.319 0.581 . . . . 0.0 110.59 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.415 HD11 ' N ' ' B' ' 32' ' ' LEU . 5.5 mp -92.19 155.17 18.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.371 -171.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 56.7 p -84.14 171.73 12.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.645 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.32 88.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.502 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.403 ' HA ' ' HE1' ' A' ' 61' ' ' HIS . 3.0 t70 -60.81 -40.21 91.84 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.064 0.459 . . . . 0.0 109.914 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.433 ' HB3' HG11 ' B' ' 77' ' ' VAL . 52.0 mt-30 -71.47 -42.06 68.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.674 178.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 85.7 mmm -64.98 -43.54 92.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.322 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' B' ' 42' ' ' MET . 27.6 m-20 -62.17 -42.06 98.91 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.211 176.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.447 ' HB3' HG22 ' B' ' 77' ' ' VAL . 3.8 t70 -59.52 -45.24 92.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.134 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.555 ' O ' ' HB3' ' B' ' 43' ' ' MET . 90.9 mtp -68.8 -36.48 78.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.122 177.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.3 -51.14 60.6 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.626 177.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.482 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 4.8 ptm -74.13 -15.29 61.04 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.03 178.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' MET . . . . . 0.555 ' HB3' ' O ' ' B' ' 40' ' ' MET . 49.5 ttp -60.43 -51.38 69.73 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 171.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.65 -33.89 76.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.204 176.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.482 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 22.3 t70 -66.11 -36.44 83.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.909 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 38.7 m -67.95 -38.28 82.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 0.0 110.205 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.465 HG23 ' HE3' ' B' ' 66' ' ' MET . 52.7 t -62.7 -41.54 92.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 121.413 0.625 . . . . 0.0 109.42 173.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.86 -42.84 94.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.35 175.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 50.6 m -63.83 -30.62 71.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.288 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.631 ' O ' ' HG2' ' B' ' 54' ' ' MET . 17.6 mt-30 -81.83 -19.24 41.51 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.071 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.548 ' HA ' ' HG2' ' B' ' 54' ' ' MET . 22.5 mtp -76.87 -27.68 55.14 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.978 175.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -85.11 -17.63 36.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.064 0.459 . . . . 0.0 110.272 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -73.06 -33.09 65.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.808 170.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' MET . . . . . 0.631 ' HG2' ' O ' ' B' ' 50' ' ' GLN . 23.1 ptp -97.33 -159.95 0.77 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.39 174.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . 0.416 ' HA3' ' HD2' ' B' ' 56' ' ' PRO . . . -176.85 -138.46 2.94 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.518 178.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' PRO . . . . . 0.416 ' HD2' ' HA3' ' B' ' 55' ' ' GLY . 38.7 Cg_endo -65.49 112.34 2.11 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.559 2.172 . . . . 0.0 111.415 176.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 64.77 86.51 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.255 -175.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . 0.488 ' HB3' ' HB2' ' B' ' 54' ' ' MET . 97.0 Cg_endo -85.34 161.77 11.23 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.708 2.272 . . . . 0.0 113.333 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.572 ' HG2' ' HG2' ' B' ' 62' ' ' ARG . 55.3 Cg_endo -72.93 137.73 27.28 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.852 2.368 . . . . 0.0 112.06 177.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -57.22 -32.98 67.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.788 -177.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -56.74 -40.07 75.1 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.831 0.348 . . . . 0.0 111.236 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.572 ' HG2' ' HG2' ' B' ' 59' ' ' PRO . 36.8 mmt180 -60.85 -40.58 93.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.849 -177.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.02 -40.56 78.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.59 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' B' ' 64' ' ' ARG . 14.4 ttp-105 -59.76 -46.77 88.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.115 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.47 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -68.91 -37.45 78.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.178 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.465 ' HE3' HG23 ' B' ' 47' ' ' VAL . 0.0 OUTLIER -59.84 -38.32 81.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.251 179.35 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . 0.498 ' C ' HD21 ' B' ' 67' ' ' ASN . 0.2 OUTLIER -55.98 -50.74 69.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.119 178.775 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.515 HG21 ' HB1' ' A' ' 72' ' ' ALA . 1.9 m -74.12 -42.6 59.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.087 -177.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -60.12 -53.34 58.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.622 -177.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.3 ttt -59.5 -43.33 93.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.826 0.346 . . . . 0.0 110.992 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.38 91.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -178.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.5 -35.45 79.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.972 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.549 ' O ' HG21 ' B' ' 77' ' ' VAL . 47.6 mt-10 -62.74 -43.41 98.87 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 110.316 177.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.84 -45.4 98.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.063 0.458 . . . . 0.0 110.712 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.27 -43.25 99.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.552 -178.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.482 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 6.4 pt-20 -67.91 -34.67 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.428 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.549 HG21 ' O ' ' B' ' 73' ' ' GLU . 55.6 t -61.33 -41.11 88.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.906 0.384 . . . . 0.0 110.261 176.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.7 t -73.71 -49.96 32.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.788 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.58 91.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.838 -177.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 8.3 m -84.55 74.5 10.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.542 0.687 . . . . 0.0 110.338 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.3 p -153.54 169.26 10.12 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 114.883 -1.053 . . . . 0.0 108.518 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.98 137.45 72.19 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.768 1.646 . . . . 0.0 110.678 172.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.56 -17.54 58.86 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.429 2.086 . . . . 0.0 111.94 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -74.02 -22.91 59.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.131 178.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 5.9 p -117.37 -7.43 11.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.518 -176.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -51.96 -51.04 59.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.759 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 12.5 p -63.26 -39.55 94.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.179 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.09 77.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.768 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.16 -42.26 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.359 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 tt -58.55 -54.1 50.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.748 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -61.25 -36.61 80.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.825 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.8 m -64.8 -53.33 48.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.66 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.7 OUTLIER -58.25 -44.19 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.025 179.036 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.99 -39.01 91.28 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.728 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.11 -43.74 56.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.759 0.314 . . . . 0.0 110.496 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 90.2 m -58.91 -38.19 78.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.316 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 1.079 ' HG ' ' HE2' ' B' ' 18' ' ' MET . 1.9 mp -54.6 -49.47 70.37 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.648 0.261 . . . . 0.0 111.43 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -59.94 -45.83 91.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.564 -176.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.25 -44.68 68.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.083 -177.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 69.2 m -52.81 -38.98 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.485 ' HE3' ' HG3' ' B' ' 18' ' ' MET . 12.4 mmt -62.15 -49.08 77.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.888 0.375 . . . . 0.0 110.902 177.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.428 ' HE1' HG21 ' B' ' 108' ' ' VAL . 29.6 ttm -67.42 -28.61 68.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -87.1 -0.95 57.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.304 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -112.0 -54.16 2.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.332 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.59 HG23 ' HB ' ' B' ' 8' ' ' ILE . 81.4 p -109.54 -17.08 13.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.115 0.483 . . . . 0.0 111.281 -176.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.25 -3.83 76.63 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.556 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 14.8 m -131.8 156.6 45.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.428 HG21 ' HE1' ' B' ' 102' ' ' MET . 75.2 t -103.5 114.71 43.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.876 0.37 . . . . 0.0 110.865 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -84.71 130.27 34.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.217 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -92.68 -27.33 17.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.182 -177.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.2 86.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.989 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . 0.437 ' O ' HG21 ' B' ' 116' ' ' VAL . 83.0 t80 -71.5 -51.11 25.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.323 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.556 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 18.2 m -56.05 -39.66 72.36 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.374 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -74.04 -39.76 63.3 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.443 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.76 -46.0 88.46 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.459 ' HA ' HD12 ' B' ' 119' ' ' LEU . 87.7 t -59.02 -40.29 80.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.28 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.597 ' HA ' ' HE2' ' B' ' 117' ' ' MET . 27.1 mmt -65.19 -37.75 88.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -178.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -71.16 -44.63 65.14 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.533 HD23 ' HE1' ' A' ' 122' ' ' MET . 9.7 mt -52.67 -49.29 65.53 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.484 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.4 p -71.65 -40.64 70.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.686 -173.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -67.61 -33.25 74.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.773 0.32 . . . . 0.0 110.74 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.463 ' HE2' HD23 ' A' ' 119' ' ' LEU . 42.7 ttp -62.2 -46.47 88.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.688 178.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 98.5 mt -68.69 -26.17 65.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.732 -179.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 40.9 t -71.65 -22.39 61.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.166 0.507 . . . . 0.0 110.74 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.002 -176.389 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.473 HG23 HG22 ' A' ' 105' ' ' THR . 5.6 pt . . . . . 0 C--O 1.234 0.277 0 CA-C-O 120.731 0.3 . . . . 0.0 111.407 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -77.18 41.85 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.353 0.597 . . . . 0.0 111.655 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.427 ' H ' ' C ' ' A' ' 8' ' ' ILE . 11.4 p -105.83 -11.25 16.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.954 170.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.461 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 34.3 m-80 -127.1 124.0 23.68 Favored Pre-proline 0 N--CA 1.455 -0.214 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.461 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 11' ' ' ASN . 16.1 Cg_exo -65.04 -47.51 4.66 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.948 2.432 . . . . 0.0 113.175 -175.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -78.59 -33.62 47.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.958 -176.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.57 92.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.117 0.484 . . . . 0.0 110.545 177.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -38.43 80.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.548 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 42.0 ttm -61.17 -32.09 71.83 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.55 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.0 m -61.57 -37.05 82.42 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.987 177.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.958 ' HE3' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -69.3 -43.37 73.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.535 178.5 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.401 HG22 ' HE3' ' A' ' 43' ' ' MET . 1.2 m -59.34 -44.7 92.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.356 178.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -60.89 -46.8 89.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.011 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.566 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 95.6 m-20 -63.84 -31.92 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.346 -178.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.455 HD21 HD11 ' A' ' 97' ' ' LEU . 21.4 mt -65.41 -41.52 93.52 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.482 176.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.73 -52.09 63.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.475 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.566 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 4.1 pt20 -60.36 -39.01 85.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.222 0.534 . . . . 0.0 110.346 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.8 t -65.29 -41.39 94.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.629 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.506 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -66.71 -40.53 88.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.745 177.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.2 t -64.89 -36.79 85.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.546 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -66.87 -49.53 65.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.121 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 p -63.39 -49.18 74.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -177.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.79 22.0 78.67 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.165 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.6 p -84.3 -15.86 10.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.438 0.637 . . . . 0.0 109.513 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.506 HD11 ' HB1' ' A' ' 26' ' ' ALA . 5.0 mp -99.06 156.32 16.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.079 178.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.9 p -93.12 174.73 7.08 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.611 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.33 -36.23 81.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.828 0.347 . . . . 0.0 110.638 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -53.55 -54.94 30.2 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.794 174.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.658 ' HB3' HG12 ' A' ' 77' ' ' VAL . 46.2 mt-30 -67.81 -37.68 82.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.443 -178.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 85.0 mmm -66.15 -37.51 85.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.488 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.43 ' HB3' ' HE1' ' B' ' 61' ' ' HIS . 27.7 t70 -76.27 -30.53 57.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.178 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.412 ' OD2' ' HB2' ' B' ' 65' ' ' ALA . 1.5 m-20 -58.78 -50.59 73.37 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.982 172.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.473 ' O ' ' HB3' ' A' ' 43' ' ' MET . 91.2 mtp -67.27 -31.38 71.68 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.614 177.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.17 -45.52 95.86 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.743 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.448 ' HE3' ' HB1' ' B' ' 65' ' ' ALA . 49.3 ttp -66.67 -30.62 70.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 110.528 177.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.473 ' HB3' ' O ' ' A' ' 40' ' ' MET . 46.9 ttp -56.04 -53.7 53.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.989 0.424 . . . . 0.0 110.484 176.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.86 97.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.528 178.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -60.96 -39.73 90.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.169 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.6 t -62.25 -48.94 77.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.922 0.392 . . . . 0.0 110.637 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.43 HG21 ' O ' ' A' ' 43' ' ' MET . 24.0 t -59.87 -35.55 61.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.133 178.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -72.16 -49.96 31.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.205 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.596 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 39.0 m -63.22 -32.05 73.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.708 -174.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.522 ' HG3' ' HE1' ' A' ' 54' ' ' MET . 5.1 tp-100 -66.33 -36.16 82.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.114 0.483 . . . . 0.0 109.819 177.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.0 mtp -75.29 -36.36 61.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.603 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.596 ' HG2' ' HA ' ' A' ' 49' ' ' SER . 9.9 pt20 -74.39 -18.27 60.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.041 0.448 . . . . 0.0 110.938 178.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -76.0 -46.84 27.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.795 174.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.78 ' HE2' ' HD3' ' A' ' 62' ' ' ARG . 62.4 mtm -85.03 -177.22 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.191 -174.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -105.45 -154.2 21.74 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.253 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.97 137.23 37.24 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.512 2.141 . . . . 0.0 112.359 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 60.66 81.83 0.23 Allowed Pre-proline 0 N--CA 1.463 0.215 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.429 -178.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.82 158.3 51.7 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.498 2.132 . . . . 0.0 111.929 175.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.498 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 24.3 Cg_endo -61.65 139.09 79.18 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.927 2.418 . . . . 0.0 112.029 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -60.87 -32.52 71.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.323 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -68.1 -21.92 64.93 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.84 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.78 ' HD3' ' HE2' ' A' ' 54' ' ' MET . 0.5 OUTLIER -64.91 -37.64 88.32 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 176.017 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.414 HD21 HH21 ' A' ' 62' ' ' ARG . 47.4 mt -70.12 -34.78 73.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.427 177.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.425 HH22 ' HA ' ' B' ' 36' ' ' GLN . 2.9 tmm_? -61.59 -38.28 87.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.654 174.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.463 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -76.75 -51.09 12.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.522 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.581 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 89.5 mmm -67.96 -23.45 65.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.02 -173.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -56.3 -57.29 12.87 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.499 HG22 ' HB1' ' B' ' 72' ' ' ALA . 6.8 m -68.32 -35.22 77.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.793 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.9 -59.03 6.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.852 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.1 ttt -57.59 -45.52 85.18 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.043 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.415 ' HB2' HG21 ' A' ' 116' ' ' VAL . . . -62.54 -46.37 88.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.502 -178.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.59 -38.26 80.5 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.358 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.511 ' O ' HG22 ' A' ' 77' ' ' VAL . 48.8 mt-10 -61.86 -48.32 81.06 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.216 -0.194 . . . . 0.0 110.643 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.436 HG22 ' SD ' ' A' ' 43' ' ' MET . 47.0 t -57.24 -47.68 83.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.883 0.373 . . . . 0.0 110.571 176.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.19 -42.99 92.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.789 ' OE1' ' HA ' ' B' ' 65' ' ' ALA . 0.6 OUTLIER -62.66 -46.38 88.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.656 177.26 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.658 HG12 ' HB3' ' A' ' 36' ' ' GLN . 56.4 t -54.1 -39.34 41.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.582 178.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.447 HG22 HG11 ' A' ' 89' ' ' VAL . 77.1 t -73.14 -47.5 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.197 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.429 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . . . -65.3 -30.12 70.94 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -174.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 m -90.92 19.98 5.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.211 0.529 . . . . 0.0 111.485 -175.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 79.7 p -90.03 162.88 34.01 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 176.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.27 145.46 87.13 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.162 1.908 . . . . 0.0 111.282 173.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -64.36 -13.34 37.75 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.405 2.07 . . . . 0.0 112.324 -175.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -81.76 -14.81 55.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.882 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.2 m -132.13 4.91 4.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.848 -174.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 79' ' ' ALA . 18.4 t80 -59.21 -51.61 69.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.0 t -71.37 -27.28 63.23 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.38 -51.37 52.81 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.705 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.447 HG11 HG22 ' A' ' 78' ' ' VAL . 62.8 t -64.03 -40.65 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.6 tt -58.29 -54.15 50.27 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.624 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -57.33 -40.82 78.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.034 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.9 m -62.21 -52.92 61.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.453 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.3 mm -65.93 -50.01 72.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.31 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.85 -33.1 71.85 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.161 -0.543 . . . . 0.0 113.348 -175.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.58 -35.93 26.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.787 0.327 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.9 t -79.27 -20.57 47.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.213 -173.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.958 ' HG ' ' HE3' ' A' ' 18' ' ' MET . 3.5 mp -57.85 -41.91 83.34 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.065 0.459 . . . . 0.0 110.386 175.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.522 ' HG3' HG23 ' A' ' 108' ' ' VAL . 79.3 ttt180 -63.71 -37.72 88.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.285 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -73.15 -50.78 20.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.0 m -55.09 -41.02 71.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.4 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.517 ' HE1' ' HB3' ' A' ' 109' ' ' ASP . 9.9 mmt -62.57 -47.77 82.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.934 0.397 . . . . 0.0 111.009 177.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.8 ttm -68.14 -32.98 73.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.239 -176.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -81.99 -12.13 58.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.858 0.361 . . . . 0.0 110.959 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.59 -60.87 1.67 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.813 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.473 HG22 HG23 ' A' ' 8' ' ' ILE . 65.2 p -93.85 -51.32 4.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.509 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 139.11 -25.75 2.76 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -175.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 48.0 m -120.1 -174.82 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.522 HG23 ' HG3' ' A' ' 98' ' ' ARG . 4.8 p -117.51 123.4 71.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.301 178.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.517 ' HB3' ' HE1' ' A' ' 101' ' ' MET . 14.5 t0 -75.13 97.82 3.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.86 173.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -72.56 -28.91 63.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.579 -175.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.88 87.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.451 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.444 ' O ' HG23 ' A' ' 116' ' ' VAL . 76.8 t80 -67.46 -51.7 48.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.103 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.495 ' HA ' HD23 ' A' ' 97' ' ' LEU . 13.1 m -54.37 -44.17 72.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.603 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.443 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 51.0 t-20 -67.16 -47.87 69.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.251 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.1 -44.59 83.35 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.438 -176.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 112' ' ' PHE . 94.6 t -60.36 -36.22 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.37 . . . . 0.0 111.013 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.608 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 25.2 mmt -73.28 -23.53 60.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.643 -177.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 25.8 mm-40 -87.76 -34.58 18.28 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 18.7 mt -59.15 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.016 176.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.16 -34.67 72.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.189 -177.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 117' ' ' MET . 95.9 mttt -71.42 -37.51 71.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.144 177.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.499 ' HE3' HD22 ' B' ' 119' ' ' LEU . 50.3 ttp -70.21 -37.77 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.012 -179.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 84.3 mt -72.89 0.91 9.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.274 0.559 . . . . 0.0 110.694 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.861 177.035 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.592 HG12 ' HE3' ' B' ' 101' ' ' MET . 12.6 pt . . . . . 0 C--O 1.235 0.329 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -73.17 81.86 1.3 Allowed 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 122.152 0.977 . . . . 0.0 110.715 176.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 85.6 m -152.4 -38.52 0.11 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 113.988 -1.46 . . . . 0.0 107.719 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -99.06 117.75 63.75 Favored Pre-proline 0 N--CA 1.452 -0.335 0 CA-C-N 114.854 -1.067 . . . . 0.0 108.697 170.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -59.96 -51.57 5.57 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.805 2.337 . . . . 0.0 112.46 -172.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -67.11 -36.18 81.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.316 -176.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.76 -33.6 68.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.016 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.81 -34.61 60.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.538 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 43.5 ttm -60.79 -28.18 68.56 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.803 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m -58.77 -40.67 84.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.787 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.801 ' SD ' ' HE2' ' B' ' 101' ' ' MET . 10.3 ttt -64.14 -43.84 93.97 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 178.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -60.96 -44.1 97.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.379 0.609 . . . . 0.0 110.471 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -65.02 -46.05 82.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.366 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -67.86 -29.21 68.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.267 -176.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.658 HD23 HD12 ' B' ' 97' ' ' LEU . 40.9 mt -63.4 -47.02 83.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.814 176.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 67.4 t -61.42 -39.91 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.337 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.585 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 24.9 mt-30 -58.01 -48.9 78.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.328 175.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . 0.464 ' HA ' ' NE ' ' B' ' 28' ' ' ARG . 6.4 t -59.36 -49.63 77.09 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.543 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.03 -38.15 85.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.429 -177.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 43.5 t -67.05 -20.76 65.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.36 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' B' ' 24' ' ' GLN . 49.4 mtm180 -82.16 -53.55 5.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.282 0.563 . . . . 0.0 109.949 176.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.537 ' HB2' HG22 ' B' ' 31' ' ' VAL . 51.3 p -57.21 -48.12 79.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.121 -171.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.73 20.51 79.79 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.045 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.537 HG22 ' HB2' ' B' ' 29' ' ' SER . 23.5 t -80.67 -27.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.438 0.637 . . . . 0.0 109.51 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 mp -93.06 152.72 19.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.702 -175.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 40.5 p -83.16 174.37 10.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.65 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.3 94.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.91 0.386 . . . . 0.0 110.485 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -57.17 -44.21 83.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.444 177.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.425 ' HA ' HH22 ' A' ' 64' ' ' ARG . 53.3 mt-30 -70.7 -43.59 68.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.057 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 81.3 mmm -63.33 -46.18 87.84 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.377 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -66.44 -28.78 68.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.104 0.478 . . . . 0.0 110.237 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.401 ' OD1' ' HB1' ' A' ' 65' ' ' ALA . 5.5 t70 -68.79 -44.02 74.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.185 176.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.4 ' O ' ' HB3' ' B' ' 43' ' ' MET . 91.6 mtp -66.45 -38.71 87.96 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.948 177.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.1 -41.98 99.63 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.535 175.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.474 ' SD ' ' HG3' ' A' ' 62' ' ' ARG . 52.5 ttp -63.75 -36.46 83.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.941 0.401 . . . . 0.0 110.227 176.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' MET . . . . . 0.4 ' HB3' ' O ' ' B' ' 40' ' ' MET . 41.1 ttp -58.56 -49.09 78.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.001 176.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.15 93.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.034 0.445 . . . . 0.0 110.642 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.13 -37.89 89.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.444 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -59.23 -46.7 87.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.419 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 39.5 t -62.85 -42.93 98.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.119 0.485 . . . . 0.0 110.094 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -58.92 -43.26 91.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.426 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.466 ' HA ' ' HG2' ' B' ' 52' ' ' GLN . 35.5 m -62.46 -28.72 70.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.443 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.574 ' HG3' ' HE2' ' B' ' 54' ' ' MET . 7.3 tp-100 -76.12 -23.67 54.9 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.29 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.432 ' HE2' ' HB3' ' B' ' 51' ' ' MET . 40.2 mtp -82.62 -16.48 48.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.533 178.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.466 ' HG2' ' HA ' ' B' ' 49' ' ' SER . 11.0 pt20 -93.68 -12.09 30.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.581 . . . . 0.0 109.765 173.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 45.8 mmtt -78.9 -51.73 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.805 170.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' MET . . . . . 0.574 ' HE2' ' HG3' ' B' ' 50' ' ' GLN . 43.9 mtm -91.85 110.37 21.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.448 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.12 -95.8 1.16 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.977 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.21 110.38 2.86 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.865 2.377 . . . . 0.0 112.925 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 59.03 88.79 0.12 Allowed Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.739 175.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . 0.478 ' HB3' ' HB3' ' B' ' 54' ' ' MET . 67.2 Cg_endo -76.83 155.37 34.57 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.311 2.008 . . . . 0.0 113.464 -178.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.434 ' HG2' ' CB ' ' B' ' 62' ' ' ARG . 41.2 Cg_endo -69.62 129.86 18.48 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 123.476 2.784 . . . . 0.0 112.103 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.42 -41.51 98.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.639 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.546 ' O ' ' HB3' ' B' ' 64' ' ' ARG . 22.3 p80 -63.78 -23.12 67.24 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.963 0.411 . . . . 0.0 110.94 -178.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.434 ' CB ' ' HG2' ' B' ' 59' ' ' PRO . 9.2 ttt180 -74.98 -33.31 61.86 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -177.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.27 -30.8 67.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.625 172.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 0.546 ' HB3' ' O ' ' B' ' 61' ' ' HIS . 1.5 tmm_? -59.01 -45.67 90.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.423 175.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.789 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -68.28 -34.62 76.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.286 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 96.2 mmm -68.52 -30.16 68.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.755 177.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . 0.473 ' HB3' ' O ' ' B' ' 64' ' ' ARG . 13.6 t-20 -56.63 -54.06 50.47 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.45 174.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.415 HG23 ' HB2' ' A' ' 76' ' ' GLU . 4.6 m -63.83 -37.19 86.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.734 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.68 -54.72 38.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.989 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.8 ttt -57.96 -48.26 80.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.277 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . 0.43 ' HB3' ' CE2' ' B' ' 112' ' ' PHE . . . -62.23 -42.65 99.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.223 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.499 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -67.37 -40.77 85.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.547 ' O ' HG21 ' B' ' 77' ' ' VAL . 42.0 mt-10 -61.92 -51.16 69.28 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.791 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 38.7 t -54.96 -48.47 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 111.015 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.88 98.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.037 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.463 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -69.91 -30.26 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.181 179.506 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.547 HG21 ' O ' ' B' ' 73' ' ' GLU . 64.5 t -63.77 -43.22 97.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.074 0.464 . . . . 0.0 110.131 173.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.54 -46.88 68.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.922 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.01 81.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.706 -177.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 11.1 m -83.83 77.53 9.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.277 0.56 . . . . 0.0 110.357 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.0 p -157.84 167.88 13.59 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.117 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.94 142.33 92.6 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.0 1.8 . . . . 0.0 110.776 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -62.75 -20.33 70.8 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.401 2.068 . . . . 0.0 111.995 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -80.42 -15.42 56.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.806 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 21.0 m -112.52 -19.4 12.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.682 -177.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -49.04 -51.31 31.88 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.341 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 32.9 t -61.1 -43.26 99.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.734 0.302 . . . . 0.0 111.002 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.65 84.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.057 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.44 -44.59 98.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.051 0.453 . . . . 0.0 110.079 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.34 -50.74 72.55 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.494 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -59.69 -34.69 73.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.146 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 91.7 m -67.09 -51.39 54.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.486 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . 0.447 HG22 HD11 ' B' ' 97' ' ' LEU . 1.6 mm -66.02 -46.36 88.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.228 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.6 -40.17 92.1 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.647 -178.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' B' ' 99' ' ' GLU . . . -70.62 -48.88 52.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.805 0.336 . . . . 0.0 110.784 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 61.4 m -71.0 -18.49 62.59 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.658 HD12 HD23 ' B' ' 22' ' ' LEU . 1.1 tp -57.2 -51.53 68.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.547 0.689 . . . . 0.0 109.59 172.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.489 ' HG3' HG23 ' B' ' 108' ' ' VAL . 48.2 ttt180 -59.32 -48.68 80.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.535 177.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' B' ' 95' ' ' ALA . 11.5 mm-40 -59.96 -45.93 91.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.204 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 75.0 m -55.63 -43.96 76.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.106 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.801 ' HE2' ' SD ' ' B' ' 18' ' ' MET . 14.7 mmt -63.24 -40.66 98.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.515 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.463 ' O ' ' HA2' ' B' ' 106' ' ' GLY . 8.9 ttm -70.75 -22.79 62.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.892 0.377 . . . . 0.0 111.273 -177.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -90.11 -34.58 15.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.81 0.338 . . . . 0.0 110.84 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.75 -59.67 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.384 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.476 HG23 ' CG2' ' B' ' 8' ' ' ILE . 74.1 p -103.86 -31.1 9.95 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.039 -177.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' B' ' 102' ' ' MET . . . 103.45 -2.04 46.35 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -175.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 6.3 m -136.24 132.22 35.54 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -178.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.547 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 3.1 p -86.8 110.37 20.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.36 0.6 . . . . 0.0 111.218 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -77.14 125.05 28.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.877 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -89.2 -16.75 30.58 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.306 -177.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.2 -55.09 15.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.653 -0.248 . . . . 0.0 110.649 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' B' ' 71' ' ' ALA . 59.4 t80 -63.47 -46.18 87.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.917 0.389 . . . . 0.0 110.202 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.513 HG22 HD21 ' B' ' 97' ' ' LEU . 90.1 m -58.07 -44.08 87.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.089 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . 0.406 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 11.0 t30 -69.59 -37.97 77.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.94 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -60.02 -42.82 95.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.345 -178.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.458 ' HA ' HD13 ' B' ' 119' ' ' LEU . 77.6 t -60.29 -38.55 77.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.639 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.54 ' HA ' ' HE3' ' B' ' 117' ' ' MET . 31.3 mmt -66.41 -38.4 87.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.445 -178.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 45.0 mt-30 -65.66 -45.31 83.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.048 0.451 . . . . 0.0 110.241 177.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.499 HD22 ' HE3' ' A' ' 122' ' ' MET . 18.5 mt -58.25 -48.9 78.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.36 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 11.9 p -70.63 -29.62 38.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.621 -174.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -76.74 -39.76 50.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.716 0.293 . . . . 0.0 110.694 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.406 ' HE3' ' HB3' ' B' ' 122' ' ' MET . 12.6 tmm? -63.91 -43.46 95.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 80.7 mt -69.45 -10.65 58.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.457 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 26.6 t -107.47 6.25 27.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.078 0.466 . . . . 0.0 110.324 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.437 0 CA-C-O 121.169 0.509 . . . . 0.0 111.417 -176.51 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.448 HG22 HG22 ' A' ' 105' ' ' THR . 14.6 pt . . . . . 0 C--O 1.235 0.315 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -79.59 67.55 5.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.403 0.62 . . . . 0.0 112.21 -173.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.9 t -126.6 -13.83 5.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.377 170.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -126.21 125.04 24.63 Favored Pre-proline 0 CA--C 1.518 -0.251 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.833 177.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -67.74 -38.94 12.6 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.896 2.398 . . . . 0.0 113.045 -173.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -76.78 -35.34 57.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.788 0.327 . . . . 0.0 110.784 -177.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.05 94.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.05 0.452 . . . . 0.0 110.482 177.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.05 -38.71 75.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.923 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.481 ' HE2' HG11 ' A' ' 47' ' ' VAL . 52.0 ttm -60.98 -29.17 69.51 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.796 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.9 m -66.99 -35.69 80.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.946 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -65.09 -40.89 95.24 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 176.858 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.45 -41.33 96.61 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.65 177.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -62.55 -48.32 80.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -62.65 -32.0 72.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.558 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 18' ' ' MET . 49.4 mt -60.81 -47.13 87.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 111.256 177.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.5 -34.03 67.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.153 0.502 . . . . 0.0 110.31 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -70.31 -41.3 73.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.299 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.585 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 13.8 p -72.66 -34.84 67.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.958 0.409 . . . . 0.0 110.081 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.58 -37.25 86.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.079 0.466 . . . . 0.0 110.659 174.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.7 t -74.74 -23.14 58.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.328 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' A' ' 25' ' ' CYS . 9.8 ptt180 -87.22 -22.95 24.93 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.495 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.8 p -85.56 -59.3 2.35 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.902 0.382 . . . . 0.0 110.456 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.38 17.18 69.5 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.074 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.406 HG12 ' OG1' ' A' ' 92' ' ' THR . 12.4 p -79.59 -22.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.284 0.564 . . . . 0.0 110.138 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.454 ' HG ' HG11 ' A' ' 89' ' ' VAL . 5.1 mp -89.57 156.89 18.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.033 178.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.7 p -80.27 167.14 20.65 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.78 -31.67 72.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.975 0.417 . . . . 0.0 110.004 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.89 -43.51 86.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.713 175.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -74.69 -34.38 62.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.037 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 86.2 mmm -64.77 -42.68 94.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.063 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.4 -31.49 68.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.985 0.422 . . . . 0.0 109.942 177.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.45 ' HB3' HG21 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -58.16 -50.81 72.21 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.019 175.031 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.583 ' HG3' HG12 ' A' ' 77' ' ' VAL . 90.5 mtp -68.65 -35.09 76.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.126 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.21 -43.31 99.55 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.713 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.472 ' HE2' ' HB3' ' A' ' 42' ' ' MET . 10.0 tmm? -65.95 -33.32 75.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.668 0.27 . . . . 0.0 110.749 177.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.439 ' O ' HG21 ' A' ' 47' ' ' VAL . 40.6 ttp -57.47 -49.32 76.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.918 0.389 . . . . 0.0 110.572 176.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.4 -36.52 84.2 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.266 0.555 . . . . 0.0 110.427 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.92 -40.65 98.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.683 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -60.97 -47.35 86.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.374 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.481 HG11 ' HE2' ' A' ' 16' ' ' MET . 21.6 t -55.42 -42.77 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-O 120.88 0.372 . . . . 0.0 110.43 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -67.94 -48.13 66.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.289 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.557 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 36.0 p -69.82 -23.71 63.35 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -175.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -76.62 -39.48 52.33 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 174.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.6 mmm -61.53 -43.44 98.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.126 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.557 ' HG2' ' HA ' ' A' ' 49' ' ' SER . 20.5 pt20 -71.84 -15.47 62.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.852 0.358 . . . . 0.0 111.379 -178.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -89.11 -8.92 52.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.882 0.372 . . . . 0.0 110.74 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.846 ' SD ' ' HD2' ' A' ' 62' ' ' ARG . 78.1 mtm -106.97 -48.76 3.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.893 0.378 . . . . 0.0 110.918 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.98 -165.61 20.95 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.661 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -67.07 139.14 49.88 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.405 2.07 . . . . 0.0 112.028 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 58.15 76.02 0.5 Allowed Pre-proline 0 N--CA 1.466 0.341 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.96 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -81.99 167.66 16.03 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.517 2.144 . . . . 0.0 112.641 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.48 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 23.8 Cg_exo -61.46 122.53 11.22 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 123.11 2.54 . . . . 0.0 111.791 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -62.53 -33.78 75.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.088 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -34.21 73.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.304 0.573 . . . . 0.0 110.376 178.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.846 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 41.7 ttm-85 -73.85 -32.55 63.71 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.621 -178.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.69 -32.14 72.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.929 176.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.1 mtm105 -58.14 -48.57 79.83 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 173.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.531 ' HA ' ' HG3' ' B' ' 76' ' ' GLU . . . -62.4 -37.05 84.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.217 178.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 96.1 mmm -59.24 -33.94 71.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -53.52 -55.57 24.34 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 173.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.505 HG21 ' HB2' ' B' ' 72' ' ' ALA . 19.7 m -65.83 -42.08 90.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.121 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.507 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -58.02 -56.39 22.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.482 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.4 ttt -60.03 -45.14 93.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.289 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.434 ' HB1' HG23 ' A' ' 116' ' ' VAL . . . -62.37 -43.19 99.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.491 ' HB3' HG21 ' B' ' 68' ' ' THR . . . -63.76 -41.4 97.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.955 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.584 ' O ' HG23 ' A' ' 77' ' ' VAL . 12.3 mm-40 -58.22 -52.15 66.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.027 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.428 ' O ' HG21 ' A' ' 78' ' ' VAL . 53.9 t -55.94 -47.32 80.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.64 96.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -61.63 -42.99 99.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.045 178.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 73' ' ' GLU . 91.9 t -61.44 -44.24 98.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.12 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 74' ' ' VAL . 78.2 t -68.68 -40.37 81.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.146 -178.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.89 -21.42 66.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.745 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.3 m -89.94 77.33 6.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.352 0.596 . . . . 0.0 110.434 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 p -158.57 161.45 28.42 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.593 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 85' ' ' SER . 26.1 Cg_exo -63.91 155.84 61.74 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.201 1.934 . . . . 0.0 110.904 175.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -57.67 -36.1 98.6 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.352 2.035 . . . . 0.0 112.122 -174.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -76.6 -21.24 55.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.684 -178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.529 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 18.0 t -101.63 -21.62 14.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.826 0.346 . . . . 0.0 110.76 -175.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -51.43 -52.14 48.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.05 -177.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.0 t -71.52 -24.89 62.04 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.087 -177.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.2 -47.01 53.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.116 0.484 . . . . 0.0 110.068 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.454 HG11 ' HG ' ' A' ' 32' ' ' LEU . 73.0 t -62.73 -44.92 99.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.097 175.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.4 -50.15 75.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.84 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -57.49 -34.7 69.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.945 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.406 ' OG1' HG12 ' A' ' 31' ' ' VAL . 39.9 m -71.06 -53.42 14.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.435 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 93' ' ' ILE . 1.6 mm -59.83 -43.5 92.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.063 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.12 -35.02 63.21 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.57 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.21 -36.24 47.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.923 0.392 . . . . 0.0 110.643 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.518 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 86.3 m -63.1 -40.32 97.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.293 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.946 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 9.5 mp -59.71 -33.4 71.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.13 0.49 . . . . 0.0 110.798 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.476 ' HG3' HG23 ' A' ' 108' ' ' VAL . 64.0 ttt180 -66.92 -49.53 65.24 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.687 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.518 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 11.0 pt-20 -74.52 -37.21 63.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.838 -175.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 66.4 m -59.83 -41.21 90.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.71 0.29 . . . . 0.0 110.767 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 14.8 mmt -66.4 -41.53 89.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.728 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.43 ' HE3' ' HB2' ' A' ' 102' ' ' MET . 22.7 ttm -68.05 -28.79 67.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.245 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -83.0 -34.97 26.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.941 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.27 -50.4 16.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.658 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.448 HG22 HG22 ' A' ' 8' ' ' ILE . 75.2 p -108.78 -47.12 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.21 0.529 . . . . 0.0 111.079 -177.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 130.68 -8.97 5.82 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.569 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.1 m -138.25 148.14 44.42 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.476 HG23 ' HG3' ' A' ' 98' ' ' ARG . 2.4 p -88.68 111.16 22.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.345 0.593 . . . . 0.0 111.158 179.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -74.51 125.98 29.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.114 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -86.22 -20.41 28.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.421 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.01 -53.32 55.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.653 0.263 . . . . 0.0 110.852 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -68.42 -45.54 72.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.042 0.449 . . . . 0.0 110.329 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.503 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 19.5 m -58.92 -41.65 87.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.707 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.408 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 10.2 t30 -71.94 -39.57 69.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.662 0.267 . . . . 0.0 110.499 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -55.54 -44.86 77.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.749 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.479 ' HA ' HD11 ' A' ' 119' ' ' LEU . 66.1 t -65.63 -35.61 75.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.958 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.547 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 30.5 mmt -65.85 -36.86 84.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.908 0.385 . . . . 0.0 110.247 -178.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 114' ' ' ASN . 43.7 mt-30 -69.5 -46.78 65.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.968 176.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.479 HD11 ' HA ' ' A' ' 116' ' ' VAL . 13.7 mt -54.81 -51.36 66.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.882 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.3 p -68.29 -31.08 50.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.608 -173.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -76.67 -37.59 55.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.001 0.429 . . . . 0.0 110.349 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.455 ' HE2' ' HB3' ' A' ' 122' ' ' MET . 41.9 ttp -63.91 -45.36 89.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.688 178.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.39 -18.29 61.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.25 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 121.06 0.457 . . . . 0.0 110.406 179.345 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.511 HG12 ' HE3' ' B' ' 101' ' ' MET . 19.4 pt . . . . . 0 CA--C 1.532 0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 111.801 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -77.59 7.64 5.34 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -173.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.7 t -81.49 -12.72 58.76 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 171.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -121.94 104.94 38.16 Favored Pre-proline 0 C--O 1.234 0.272 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.717 173.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -62.31 -35.43 73.48 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.831 2.354 . . . . 0.0 112.257 -175.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -69.81 -41.51 74.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.496 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.3 -44.79 82.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.503 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.16 99.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.127 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -62.67 -30.99 71.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.786 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.6 m -67.48 -34.57 77.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.112 0.482 . . . . 0.0 109.877 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.977 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.61 -44.4 94.06 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.182 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.496 ' HA ' ' HE1' ' B' ' 70' ' ' MET . 1.5 m -59.56 -44.26 93.32 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.187 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -63.69 -47.74 79.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.267 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -65.74 -27.79 68.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.645 -176.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 19.4 mt -61.25 -47.18 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.626 175.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.56 -41.32 91.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.4 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -63.61 -44.34 94.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 177.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . 0.517 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 42.7 t -64.42 -36.23 83.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.115 0.483 . . . . 0.0 110.561 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.476 ' HB2' HD13 ' B' ' 32' ' ' LEU . . . -71.22 -37.61 72.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.003 0.43 . . . . 0.0 111.062 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 45.1 t -72.03 -31.29 66.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.517 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 26.3 ptt180 -80.73 -19.62 44.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.611 0.243 . . . . 0.0 110.997 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.3 p -89.93 -49.27 6.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.015 0.436 . . . . 0.0 110.414 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.08 24.27 74.11 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.045 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.7 p -90.57 -9.85 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.165 0.507 . . . . 0.0 110.385 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.538 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.5 mp -102.13 151.23 22.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.397 178.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 62.1 p -86.31 -179.5 6.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.908 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.14 94.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.766 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -57.98 -49.96 75.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.448 0.642 . . . . 0.0 109.558 178.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 43.0 mt-30 -67.26 -46.75 72.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.325 -177.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 90.1 mmm -63.57 -45.0 92.45 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 111.55 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -65.84 -35.27 80.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -72.0 -38.77 69.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.998 0.428 . . . . 0.0 110.542 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.501 ' O ' ' HB3' ' B' ' 43' ' ' MET . 85.9 mtp -65.47 -33.04 74.99 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.147 174.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.04 -41.79 96.65 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.553 172.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.586 ' SD ' ' HD3' ' A' ' 62' ' ' ARG . 52.7 ttp -65.07 -34.27 78.02 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 120.595 0.236 . . . . 0.0 110.735 176.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' MET . . . . . 0.503 ' SD ' ' HG3' ' B' ' 70' ' ' MET . 47.6 ttp -54.47 -51.04 66.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.975 0.417 . . . . 0.0 110.338 176.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.51 99.48 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.96 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.75 -41.65 97.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.183 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 30.0 t -56.77 -51.53 68.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.622 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.464 HG21 ' O ' ' B' ' 43' ' ' MET . 10.6 t -60.3 -41.56 87.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.618 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -67.85 -50.73 54.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.694 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.497 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 63.4 p -68.93 -24.99 64.35 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -171.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -86.75 -32.62 20.31 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.549 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 58.7 mmm -69.05 -39.16 79.32 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.152 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -66.54 -26.25 67.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.093 0.473 . . . . 0.0 110.542 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' B' ' 49' ' ' SER . 32.9 mtmm -85.24 -12.99 51.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.587 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.6 mtm -105.07 -40.7 5.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.334 . . . . 0.0 111.199 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.85 -157.78 28.84 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.723 176.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.36 141.67 47.52 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.788 2.325 . . . . 0.0 112.475 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 49.93 75.78 0.62 Allowed Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.428 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -83.11 172.34 10.83 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 122.484 2.123 . . . . 0.0 111.879 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.598 ' HG2' ' CZ ' ' B' ' 62' ' ' ARG . 23.1 Cg_exo -63.14 119.1 6.04 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.607 2.205 . . . . 0.0 111.161 175.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.92 -28.34 64.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.197 -176.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.67 ' HA ' ' HG3' ' B' ' 64' ' ' ARG . 11.4 p80 -71.47 -32.23 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.405 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.652 ' O ' ' HG2' ' B' ' 66' ' ' MET . 41.5 mtm-85 -73.81 -21.06 60.27 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.163 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.16 -32.53 63.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.761 171.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 0.67 ' HG3' ' HA ' ' B' ' 61' ' ' HIS . 29.4 mtm105 -53.17 -53.72 46.48 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.271 0.558 . . . . 0.0 109.577 173.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.448 ' CB ' ' HE1' ' A' ' 42' ' ' MET . . . -60.25 -44.93 94.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.725 -178.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.652 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 92.6 mmm -58.38 -32.42 68.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.377 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -54.13 -55.17 30.31 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.143 0.497 . . . . 0.0 110.393 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.491 HG21 ' HB3' ' A' ' 72' ' ' ALA . 26.6 m -74.09 -32.91 63.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.181 -177.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.28 -53.8 54.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.98 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' MET . . . . . 0.503 ' HG3' ' SD ' ' B' ' 43' ' ' MET . 20.2 ttt -60.34 -45.37 93.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.834 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.6 99.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.288 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.505 ' HB2' HG21 ' A' ' 68' ' ' THR . . . -64.75 -38.77 92.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.23 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.454 ' OE1' ' HE1' ' B' ' 42' ' ' MET . 9.3 mm-40 -63.47 -39.03 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.407 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.443 ' O ' HG21 ' B' ' 78' ' ' VAL . 71.5 t -66.38 -41.66 89.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.056 0.455 . . . . 0.0 110.516 176.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.31 -38.28 90.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.502 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.531 ' HG3' ' HA ' ' A' ' 65' ' ' ALA . 3.5 tm-20 -55.13 -53.7 52.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.211 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.498 HG11 ' HG3' ' B' ' 40' ' ' MET . 33.7 m -68.75 -34.8 66.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.174 -174.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.443 HG21 ' O ' ' B' ' 74' ' ' VAL . 96.4 t -70.56 -37.79 71.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.987 0.422 . . . . 0.0 110.425 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.414 ' HA ' ' CE2' ' B' ' 86' ' ' TYR . . . -72.98 -35.96 67.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.807 -177.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 27.5 m -85.85 78.81 9.44 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.604 0.716 . . . . 0.0 110.244 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 52.1 p -149.76 162.96 26.63 Favored Pre-proline 0 C--N 1.317 -0.847 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.868 176.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -64.23 139.78 67.8 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.731 1.621 . . . . 0.0 110.403 175.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -45.4 -38.09 15.21 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.371 2.714 . . . . 0.0 112.947 -176.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -66.4 -50.1 64.61 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.54 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 47.8 m -83.4 -9.86 58.77 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.112 -172.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . 0.672 ' HH ' ' HB2' ' B' ' 124' ' ' SER . 18.8 t80 -51.7 -53.65 36.91 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 111.261 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -60.07 -40.27 88.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.928 -177.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.4 92.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.78 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 65.8 t -64.79 -46.46 91.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.493 178.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 tt -58.5 -50.44 73.76 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.686 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -60.55 -38.86 85.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.06 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 93.9 m -64.41 -56.25 15.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.722 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -59.32 -42.01 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.192 -179.001 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.92 -41.48 76.76 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.999 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.43 65.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.751 0.31 . . . . 0.0 110.64 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 88.6 m -58.68 -34.79 71.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.785 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.977 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 7.6 mp -66.11 -43.82 86.12 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.647 0.26 . . . . 0.0 111.11 178.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.505 ' HG3' HG23 ' B' ' 108' ' ' VAL . 20.8 ttt180 -60.6 -40.68 92.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.115 0.483 . . . . 0.0 110.08 176.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.96 -55.56 24.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.314 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 42.3 m -56.99 -42.26 79.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.016 -174.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.532 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 15.7 mmt -63.05 -38.03 89.55 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.011 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 3.2 ttm -68.54 -35.1 76.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.944 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -81.75 -35.13 30.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.985 0.421 . . . . 0.0 110.791 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.0 -54.75 8.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.695 -176.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 81.8 p -107.51 -49.66 3.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.136 0.493 . . . . 0.0 110.682 -177.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 131.53 -20.74 4.61 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -175.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m -120.77 139.5 53.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.532 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 2.9 p -90.5 108.06 19.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.399 0.619 . . . . 0.0 111.204 -177.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -71.75 130.31 40.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.38 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -92.19 -17.4 24.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.362 -177.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.72 -53.0 54.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.652 0.263 . . . . 0.0 110.774 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -68.18 -45.94 72.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.427 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.531 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 22.8 m -56.73 -41.01 76.74 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.728 178.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . 0.415 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 55.7 t30 -71.85 -41.15 68.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 0.0 110.494 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -53.33 -44.98 68.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.141 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.44 HG23 HD22 ' B' ' 97' ' ' LEU . 94.0 t -66.1 -36.74 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.551 ' HA ' ' HE3' ' B' ' 117' ' ' MET . 29.0 mmt -65.06 -39.96 94.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.07 -179.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 44.1 mt-30 -68.45 -43.38 77.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.224 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.442 HD21 ' HE3' ' A' ' 122' ' ' MET . 17.4 mt -56.62 -51.23 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.616 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . 0.425 HG22 ' OH ' ' B' ' 86' ' ' TYR . 11.4 p -67.85 -35.95 74.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.47 -174.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -67.44 -40.73 85.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.089 0.471 . . . . 0.0 110.402 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.452 ' HE1' ' CD2' ' A' ' 119' ' ' LEU . 38.7 ttp -65.86 -43.78 87.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.986 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 90.6 mt -74.9 -11.41 60.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 110.83 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' SER . . . . . 0.672 ' HB2' ' HH ' ' B' ' 86' ' ' TYR . 29.6 t -89.9 0.45 57.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.358 177.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 121.017 0.437 . . . . 0.0 111.404 -179.298 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.49 HG22 HG21 ' A' ' 105' ' ' THR . 5.7 pt . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.036 0.446 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -73.54 85.88 1.57 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.818 0.818 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -164.37 -28.29 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.008 -1.451 . . . . 0.0 107.987 177.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -109.9 112.82 57.8 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.007 171.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -65.03 -40.63 19.64 Favored 'Trans proline' 0 C--N 1.331 -0.349 0 C-N-CA 122.862 2.375 . . . . 0.0 113.001 -170.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -65.66 -34.98 79.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.739 0.304 . . . . 0.0 110.705 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.43 -44.41 75.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.554 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.35 91.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.665 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 43.2 ttm -63.1 -28.76 70.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.9 m -64.01 -37.78 88.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.852 176.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.83 -39.49 90.88 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.435 ' HA ' ' HE1' ' A' ' 70' ' ' MET . 0.6 OUTLIER -61.46 -41.65 97.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.801 177.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -71.45 -42.01 68.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.162 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -61.49 -33.08 73.18 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.209 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.627 HD22 HD11 ' A' ' 97' ' ' LEU . 46.8 mt -60.81 -40.8 94.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.732 176.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.34 -35.93 72.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.302 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -59.5 -52.0 67.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.467 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.55 -38.89 65.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.059 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.28 -42.28 90.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.425 . . . . 0.0 111.364 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.5 t -68.44 -21.59 64.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.527 -176.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 28' ' ' ARG . 10.2 ptp180 -106.01 -4.79 20.11 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.922 -178.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.7 p -85.23 -45.86 11.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.125 0.488 . . . . 0.0 109.78 176.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.4 90.12 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.58 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.5 p -76.24 -19.16 15.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.023 0.439 . . . . 0.0 110.39 -179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mp -98.16 160.14 14.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.011 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.9 p -92.8 176.78 6.31 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.551 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.19 -40.87 96.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.12 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.476 ' CG ' HH21 ' B' ' 64' ' ' ARG . 11.2 t70 -61.76 -41.78 98.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.209 0.528 . . . . 0.0 110.089 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.61 ' HB3' HG13 ' A' ' 77' ' ' VAL . 54.0 mt-30 -66.62 -48.4 69.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.635 177.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 76.7 mmm -62.35 -42.54 99.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.591 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -66.19 -35.87 81.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.06 -33.94 68.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.232 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mtp -65.84 -36.49 83.61 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.064 0.459 . . . . 0.0 109.88 173.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.03 -37.16 94.49 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 173.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 18.6 tmm? -62.07 -42.65 99.42 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.423 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 37.9 ttp -55.55 -45.43 77.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.261 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.98 89.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.325 177.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -68.03 -42.18 81.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.735 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.2 p -62.51 -45.88 90.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.598 0.237 . . . . 0.0 110.867 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.3 t -65.05 -42.16 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.245 0.545 . . . . 0.0 110.037 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -60.54 -52.93 63.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.476 -178.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.636 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 35.2 m -60.05 -45.55 92.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.422 -175.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -62.53 -31.97 72.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.233 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.9 mmm -73.49 -26.18 60.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.86 0.362 . . . . 0.0 111.065 176.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -82.93 -25.64 32.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.41 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.636 ' HG2' ' O ' ' A' ' 49' ' ' SER . 1.6 mmmp? -75.05 -19.82 59.84 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 65.1 mtm -109.03 -168.66 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.145 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.64 -148.43 5.04 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.643 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.55 136.6 43.36 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.441 2.094 . . . . 0.0 111.762 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 63.18 86.17 0.15 Allowed Pre-proline 0 N--CA 1.464 0.255 0 O-C-N 123.603 0.565 . . . . 0.0 111.054 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -86.35 164.65 9.63 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.045 2.496 . . . . 0.0 112.329 178.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.1 139.68 47.33 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.574 2.183 . . . . 0.0 112.19 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -61.87 -25.04 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.485 -178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.448 ' HE1' ' HA ' ' B' ' 35' ' ' ASP . 58.9 m-70 -55.5 -58.09 9.19 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.208 0.528 . . . . 0.0 109.956 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.607 ' HG2' ' HG3' ' B' ' 42' ' ' MET . 66.4 mtt180 -64.13 -36.81 85.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.17 -176.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 67.5 mt -60.24 -52.62 64.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.744 0.307 . . . . 0.0 111.001 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 21.5 ptt180 -65.78 -33.23 75.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.6 -177.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.72 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -73.52 -46.27 48.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.659 -178.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 92.8 mmm -66.08 -24.47 66.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.818 -177.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -53.29 -55.76 22.07 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.529 173.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.0 m -76.8 -34.54 57.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.012 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -58.03 -51.62 68.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.29 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.435 ' HE1' ' HA ' ' A' ' 19' ' ' THR . 19.3 ttt -59.24 -41.39 88.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 110.781 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.17 -43.19 98.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.99 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.91 -33.88 76.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.927 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 45.4 mt-10 -64.84 -27.53 68.94 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.5 t -80.3 -44.41 22.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.096 0.474 . . . . 0.0 110.223 174.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.83 92.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.718 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -60.08 -38.61 83.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.973 0.416 . . . . 0.0 110.707 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.61 HG13 ' HB3' ' A' ' 36' ' ' GLN . 54.7 t -67.4 -43.6 87.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.779 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.58 -42.81 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.088 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.41 -30.64 71.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.532 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.4 m -85.7 76.73 9.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.318 0.58 . . . . 0.0 110.363 178.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 61.4 p -154.01 167.72 13.18 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.637 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.68 145.32 99.07 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.263 1.975 . . . . 0.0 111.053 174.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.23 -17.67 44.98 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.178 1.919 . . . . 0.0 112.329 -172.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -93.9 -1.54 54.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.095 0.474 . . . . 0.0 110.364 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.4 m -122.43 -1.49 9.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.024 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -58.29 -47.07 84.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.363 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.1 t -66.92 -35.24 79.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.987 0.422 . . . . 0.0 110.163 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.52 -49.86 69.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.89 -44.61 96.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.477 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.5 -52.25 66.16 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.706 -178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -59.18 -43.74 92.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.23 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.3 m -58.24 -46.23 86.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.5 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 93' ' ' ILE . 0.8 OUTLIER -68.68 -42.74 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 177.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.92 -40.42 95.29 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.057 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -66.63 -46.83 74.53 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 174.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.8 m -54.91 -45.87 74.79 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.448 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.627 HD11 HD22 ' A' ' 22' ' ' LEU . 3.6 mp -49.52 -49.97 43.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.987 0.423 . . . . 0.0 111.349 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.494 ' HG3' HG22 ' A' ' 108' ' ' VAL . 80.4 ttt180 -65.08 -49.23 70.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.909 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 22.2 mm-40 -63.42 -47.41 82.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.026 -179.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.6 m -56.44 -46.4 80.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.36 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.528 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 14.1 mmt -59.56 -50.28 74.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.795 0.331 . . . . 0.0 110.655 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.1 ttm -63.1 -38.23 90.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.56 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -84.48 -9.26 58.53 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -177.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.32 -48.35 5.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.948 0.404 . . . . 0.0 111.414 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.49 HG21 HG22 ' A' ' 8' ' ' ILE . 65.4 p -111.17 -14.65 13.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.047 0.451 . . . . 0.0 111.745 -173.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.25 1.29 66.92 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.854 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.4 m -149.71 159.24 44.5 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.528 ' HA ' ' HB3' ' A' ' 101' ' ' MET . 7.7 p -107.3 116.37 50.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.413 0.625 . . . . 0.0 111.066 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -78.33 134.23 37.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.096 175.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -94.32 -23.35 17.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.726 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.96 61.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.737 -176.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.468 ' O ' HG22 ' A' ' 116' ' ' VAL . 79.3 t80 -68.2 -49.25 62.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.704 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.534 ' HA ' HD23 ' A' ' 97' ' ' LEU . 43.8 m -57.46 -42.41 82.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.475 -177.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -71.56 -39.75 70.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.66 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -59.33 -42.59 91.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 112' ' ' PHE . 58.4 t -59.57 -39.75 80.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.984 0.421 . . . . 0.0 110.752 177.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.54 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 27.3 mmt -66.72 -42.19 86.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.245 -177.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -66.98 -44.02 81.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.472 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.494 HD23 ' HE3' ' B' ' 122' ' ' MET . 24.1 mt -56.41 -50.04 72.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.405 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 12.9 p -70.52 -32.18 48.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.552 -174.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -71.13 -38.06 72.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.922 0.391 . . . . 0.0 110.292 177.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.48 ' HE1' HD21 ' B' ' 119' ' ' LEU . 38.2 ttp -65.87 -39.98 91.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.899 178.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.7 mt -71.67 -15.8 62.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.326 -0.426 0 CA-C-O 121.368 0.604 . . . . 0.0 109.92 178.926 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.799 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.5 pp . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.955 0.407 . . . . 0.0 111.502 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -77.37 23.36 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.025 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.481 HG23 ' ND2' ' B' ' 11' ' ' ASN . 8.8 t -86.77 -5.48 59.1 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 172.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.481 ' ND2' HG23 ' B' ' 10' ' ' THR . 56.8 m-80 -135.56 115.54 11.57 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.635 175.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -68.97 -42.98 3.68 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 123.02 2.48 . . . . 0.0 113.34 -173.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -69.8 -29.53 66.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.287 0.565 . . . . 0.0 110.072 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.07 74.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.182 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.99 83.96 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.755 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' MET . . . . . 0.417 ' HE1' ' HG3' ' B' ' 51' ' ' MET . 41.7 ttm -60.86 -30.74 70.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.989 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 52.3 m -68.1 -33.19 74.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.015 178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 1.049 ' HE3' ' HG ' ' B' ' 97' ' ' LEU . 0.3 OUTLIER -67.43 -41.36 84.94 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.79 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.41 HG21 ' HE3' ' B' ' 43' ' ' MET . 0.2 OUTLIER -61.39 -43.42 98.9 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.426 177.641 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -66.26 -45.23 81.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.81 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . 0.527 ' HA ' ' CG ' ' B' ' 24' ' ' GLN . 85.9 m-20 -65.75 -24.92 67.06 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.508 -178.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' B' ' 97' ' ' LEU . 32.7 mt -68.01 -45.89 72.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.999 0.428 . . . . 0.0 110.09 172.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 46.3 t -60.07 -49.78 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.423 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.527 ' CG ' ' HA ' ' B' ' 21' ' ' ASN . 3.7 pp0? -62.76 -36.11 81.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.872 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 38.2 t -71.28 -40.17 71.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.25 0.548 . . . . 0.0 110.098 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.495 ' HB2' HD11 ' B' ' 32' ' ' LEU . . . -65.89 -38.12 87.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.455 0.645 . . . . 0.0 110.768 175.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 34.9 t -66.75 -36.11 81.67 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.408 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 10.8 ptp180 -92.04 0.22 57.47 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -177.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 21.2 p -95.59 -42.62 8.32 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.296 175.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.43 31.63 60.79 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.602 176.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.45 HG12 HD12 ' B' ' 32' ' ' LEU . 14.7 p -103.04 -8.97 9.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.237 0.542 . . . . 0.0 110.393 178.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' B' ' 26' ' ' ALA . 5.3 mp -107.03 153.89 21.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.367 178.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 73.5 p -86.01 174.76 8.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.51 178.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.56 -33.15 75.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.738 0.304 . . . . 0.0 110.982 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.448 ' HA ' ' HE1' ' A' ' 61' ' ' HIS . 28.5 t0 -62.08 -45.6 92.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.145 0.497 . . . . 0.0 109.743 177.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.426 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 52.2 mt-30 -68.69 -44.91 72.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.702 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 79.6 mmm -62.16 -49.0 77.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.831 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.43 -28.99 66.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 110.608 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -65.26 -43.33 91.63 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.2 mtp -67.3 -35.9 80.42 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.399 175.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.72 -41.53 99.05 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.429 -0.669 . . . . 0.0 111.429 175.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.607 ' HG3' ' HG2' ' A' ' 62' ' ' ARG . 17.9 tmm? -63.17 -39.01 93.43 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 176.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' MET . . . . . 0.523 ' O ' HG22 ' B' ' 47' ' ' VAL . 35.0 ttp -56.55 -47.39 79.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.126 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.45 87.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.179 0.514 . . . . 0.0 110.264 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.31 -43.35 86.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.683 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.4 p -65.03 -42.01 94.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.442 0.163 . . . . 0.0 111.206 -178.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.523 HG22 ' O ' ' B' ' 43' ' ' MET . 40.1 t -61.19 -46.82 95.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 121.264 0.554 . . . . 0.0 110.106 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -68.76 -35.09 76.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.237 -176.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 66.9 m -72.42 -23.87 61.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.392 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -79.23 -15.64 57.71 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.658 174.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.417 ' HG3' ' HE1' ' B' ' 16' ' ' MET . 95.7 mmm -79.06 -10.54 59.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.372 0.606 . . . . 0.0 109.686 172.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -88.64 -34.22 17.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 170.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' B' ' 53' ' ' LYS . 27.2 mmmt -67.99 -40.15 83.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.869 175.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' MET . . . . . 0.707 ' SD ' ' HB3' ' B' ' 58' ' ' PRO . 63.9 mtm -95.44 131.94 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.209 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -93.3 -118.11 2.69 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.693 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.2 108.92 2.58 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 122.747 2.298 . . . . 0.0 112.842 -176.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.423 HD21 ' N ' ' B' ' 57' ' ' ASN . 0.9 OUTLIER 65.17 92.08 0.07 OUTLIER Pre-proline 0 N--CA 1.468 0.461 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.194 179.153 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . 0.707 ' HB3' ' SD ' ' B' ' 54' ' ' MET . 33.2 Cg_exo -60.07 157.57 33.81 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 123.188 2.592 . . . . 0.0 113.519 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.498 ' HD2' ' SD ' ' B' ' 54' ' ' MET . 19.2 Cg_endo -62.56 125.01 15.22 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 123.316 2.677 . . . . 0.0 111.716 176.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -51.4 -40.88 60.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.378 -178.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.479 ' HA ' ' HG2' ' B' ' 64' ' ' ARG . 2.0 p-80 -66.92 -31.32 71.83 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.734 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.691 ' HD3' ' SD ' ' B' ' 54' ' ' MET . 34.6 ttt180 -74.86 -25.47 59.0 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.151 -0.62 . . . . 0.0 109.475 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.0 mt -71.29 -51.2 25.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.249 175.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 0.479 ' HG2' ' HA ' ' B' ' 61' ' ' HIS . 10.2 ptt180 -68.88 -22.26 64.2 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.806 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.02 -50.88 37.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.238 0.542 . . . . 0.0 110.345 174.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 94.9 mmm -64.95 -21.58 66.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.289 -178.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -56.13 -46.31 79.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.267 171.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.475 ' HA ' ' OE1' ' B' ' 115' ' ' GLU . 57.6 m -80.1 -37.59 33.38 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.697 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . 0.496 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -61.06 -52.06 66.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.483 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.5 ttt -59.72 -43.02 94.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.951 0.405 . . . . 0.0 110.698 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . 0.457 ' HB3' HG23 ' B' ' 116' ' ' VAL . . . -63.32 -43.55 97.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.973 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.4 ' HA ' HD13 ' B' ' 119' ' ' LEU . . . -63.17 -39.69 95.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.921 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.511 ' O ' HG22 ' B' ' 77' ' ' VAL . 43.1 mt-10 -62.38 -46.58 87.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.559 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 44.3 t -60.19 -48.61 87.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.743 0.306 . . . . 0.0 110.873 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.19 -40.41 89.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.804 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.72 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 24.4 tt0 -59.15 -49.15 78.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.55 176.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.511 HG22 ' O ' ' B' ' 73' ' ' GLU . 72.6 t -56.61 -39.61 63.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.215 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.3 t -75.35 -46.72 37.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.176 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.401 ' HB2' HG22 ' B' ' 120' ' ' VAL . . . -67.21 -38.68 85.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.515 -177.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 5.1 m -83.99 68.02 9.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.395 0.616 . . . . 0.0 110.443 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.0 p -144.91 171.69 6.29 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.859 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.3 137.18 59.35 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.535 1.49 . . . . 0.0 110.422 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.16 -21.01 57.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.753 2.302 . . . . 0.0 111.849 -175.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -65.51 -50.4 65.41 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.557 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' SER . . . . . 0.435 ' O ' HG22 ' B' ' 89' ' ' VAL . 45.5 m -91.27 -9.88 43.48 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.263 -175.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -47.11 -59.74 2.94 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.257 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 40.5 m -58.7 -36.02 73.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.726 -175.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.79 -46.56 57.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.14 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.435 HG22 ' O ' ' B' ' 85' ' ' SER . 87.1 t -59.14 -42.66 87.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.204 0.525 . . . . 0.0 109.924 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.68 -51.63 69.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.694 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -60.09 -38.74 83.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.604 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 84.2 m -64.51 -53.7 44.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.77 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.7 OUTLIER -60.05 -44.93 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.06 179.694 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.97 -43.05 87.89 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.394 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.08 -41.4 74.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.671 0.272 . . . . 0.0 110.746 178.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 94.7 m -62.3 -34.48 76.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.334 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 1.049 ' HG ' ' HE3' ' B' ' 18' ' ' MET . 2.5 mp -58.58 -51.58 69.31 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.701 0.286 . . . . 0.0 111.327 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.489 ' HG3' HG21 ' B' ' 108' ' ' VAL . 39.4 ttp180 -55.92 -45.8 78.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.513 -178.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.57 -47.29 70.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.931 -177.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 58.1 m -55.88 -42.13 75.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.528 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.504 ' SD ' ' HG3' ' B' ' 18' ' ' MET . 13.9 mmt -63.56 -44.03 95.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.906 0.384 . . . . 0.0 110.911 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.403 ' HE3' ' HB2' ' B' ' 102' ' ' MET . 23.9 ttm -68.45 -26.18 65.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.117 -177.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -85.75 -34.36 21.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.822 0.344 . . . . 0.0 110.968 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.09 -53.84 8.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.384 -177.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.799 HG21 ' HB ' ' B' ' 8' ' ' ILE . 81.4 p -103.57 -48.62 3.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.241 0.543 . . . . 0.0 110.691 -177.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.98 -0.69 6.68 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.482 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 48.3 m -147.91 149.2 31.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.489 HG21 ' HG3' ' B' ' 98' ' ' ARG . 2.9 p -85.61 111.08 20.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.383 0.611 . . . . 0.0 111.537 -176.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . 0.467 ' HB3' ' HE1' ' B' ' 101' ' ' MET . 10.6 t70 -68.3 111.85 4.84 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.726 175.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.22 -28.45 42.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.42 -175.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.97 87.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.965 0.412 . . . . 0.0 110.716 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . 0.408 ' O ' HG22 ' B' ' 116' ' ' VAL . 81.5 t80 -69.06 -51.97 33.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.416 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.541 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 15.2 m -57.96 -32.72 68.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.765 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -70.74 -47.02 61.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.607 0.241 . . . . 0.0 110.842 178.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . 0.475 ' OE1' ' HA ' ' B' ' 68' ' ' THR . 23.2 tt0 -58.58 -44.32 89.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 -176.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.457 HG23 ' HB3' ' B' ' 71' ' ' ALA . 64.8 t -59.47 -39.54 79.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.759 -178.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.59 ' HA ' ' HE2' ' B' ' 117' ' ' MET . 28.2 mmt -68.01 -39.34 83.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.961 0.41 . . . . 0.0 110.547 -175.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -76.38 -34.91 58.88 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.264 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.48 HD21 ' HE1' ' A' ' 122' ' ' MET . 13.0 mt -57.87 -51.08 71.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.055 176.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . 0.401 HG22 ' HB2' ' B' ' 79' ' ' ALA . 11.7 p -67.39 -37.51 79.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.091 -175.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -63.86 -40.69 97.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.939 0.4 . . . . 0.0 110.562 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.494 ' HE3' HD23 ' A' ' 119' ' ' LEU . 45.8 ttp -68.87 -44.28 73.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.889 178.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 89.2 mt -75.98 -5.2 45.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.907 0.384 . . . . 0.0 111.02 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 23.1 t -84.7 -1.9 56.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.556 0.693 . . . . 0.0 109.842 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.341 177.543 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.446 HG21 ' HB2' ' A' ' 109' ' ' ASP . 6.2 pt . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 120.693 0.282 . . . . 0.0 111.413 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -73.41 87.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.697 0.761 . . . . 0.0 111.769 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.32 -37.45 0.21 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.36 -1.291 . . . . 0.0 108.876 175.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.408 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 45.6 m-80 -101.57 127.7 30.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.119 170.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 11' ' ' ASN . 7.4 Cg_exo -65.62 -55.72 0.41 Allowed 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.627 2.218 . . . . 0.0 112.826 -172.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -72.25 -26.11 61.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.387 -174.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.89 77.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.102 0.477 . . . . 0.0 110.125 176.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.46 -34.85 68.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.874 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.486 ' HE3' ' HG3' ' A' ' 51' ' ' MET . 50.7 ttm -59.55 -29.08 67.66 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.116 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.7 m -60.77 -36.32 78.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.956 0.408 . . . . 0.0 110.083 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.882 ' HE3' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -65.85 -41.44 91.69 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.06 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.537 ' HA ' ' HE2' ' A' ' 70' ' ' MET . 1.9 m -60.29 -50.38 73.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.992 178.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.77 -42.12 97.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.983 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -69.14 -25.54 64.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.372 -177.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.97 -47.57 79.88 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.32 173.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.74 -41.02 88.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.113 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -62.18 -39.96 94.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.976 176.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.537 ' HA ' ' HD3' ' A' ' 28' ' ' ARG . 12.6 t -70.26 -35.53 73.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.956 0.407 . . . . 0.0 110.509 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.09 -38.7 75.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.013 0.435 . . . . 0.0 110.76 176.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.8 t -72.2 -21.44 61.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.442 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.537 ' HD3' ' HA ' ' A' ' 25' ' ' CYS . 1.6 ptm180 -94.29 -17.7 22.37 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 111.043 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.9 p -88.45 -43.95 11.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.954 0.407 . . . . 0.0 110.576 177.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.01 24.9 75.87 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.906 -0.588 . . . . 0.0 113.107 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.5 t -83.59 -27.69 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.373 0.606 . . . . 0.0 110.221 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.545 ' HB3' ' HB2' ' A' ' 36' ' ' GLN . 5.6 mp -86.59 154.28 21.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.012 -174.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 75.8 p -87.85 178.41 6.72 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.603 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.69 94.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.561 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -51.46 -52.97 41.94 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.465 176.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.545 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 42.5 mt-30 -67.64 -45.44 75.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.448 -176.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 86.3 mmm -64.7 -43.84 92.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.672 -177.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -63.43 -35.21 79.69 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.115 0.483 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.479 ' HB3' HG21 ' A' ' 77' ' ' VAL . 1.9 t70 -63.69 -45.08 91.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.385 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.407 ' O ' ' HB3' ' A' ' 43' ' ' MET . 91.3 mtp -66.94 -30.93 71.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.664 178.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.98 -50.02 67.14 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.999 177.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -68.22 -25.46 65.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.649 0.261 . . . . 0.0 110.328 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.418 ' O ' HG22 ' A' ' 47' ' ' VAL . 48.4 ttp -58.82 -54.3 48.7 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.06 0.457 . . . . 0.0 110.189 176.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.5 83.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.552 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.4 -42.54 92.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.308 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.2 p -64.85 -30.21 71.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.675 0.274 . . . . 0.0 111.3 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 43' ' ' MET . 59.2 t -73.52 -42.14 56.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.253 0.549 . . . . 0.0 110.128 175.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -69.01 -41.9 77.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.702 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.664 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 12.4 p -64.8 -24.58 67.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.375 -178.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.528 ' HG2' ' HE2' ' A' ' 54' ' ' MET . 32.8 tt0 -65.64 -38.83 90.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.572 ' HA ' ' HE1' ' A' ' 51' ' ' MET . 0.6 OUTLIER -67.35 -39.46 85.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.568 -179.097 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.664 ' HG2' ' HA ' ' A' ' 49' ' ' SER . 17.8 pt20 -77.08 -28.34 54.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.043 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -73.84 -36.19 64.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.033 0.444 . . . . 0.0 110.451 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.528 ' HE2' ' HG2' ' A' ' 50' ' ' GLN . 56.6 mtm -94.04 -163.23 1.02 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.083 177.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.16 -170.87 13.05 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.483 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.15 147.31 72.72 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.589 2.193 . . . . 0.0 111.742 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.2 m120 60.54 74.7 0.52 Allowed Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.887 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -88.28 172.01 5.24 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.911 2.407 . . . . 0.0 113.044 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -63.93 140.07 71.1 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.933 2.422 . . . . 0.0 111.934 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -65.65 -40.11 92.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.884 -176.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.555 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 11.6 p80 -63.55 -25.76 68.39 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.257 -178.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.539 ' O ' ' HG2' ' A' ' 66' ' ' MET . 96.5 mtt180 -71.48 -35.02 70.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.052 0.453 . . . . 0.0 110.104 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.92 -45.15 44.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.593 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' A' ' 61' ' ' HIS . 1.8 ppt_? -60.46 -29.34 68.97 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.217 178.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.623 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -71.46 -45.0 63.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.948 178.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 97.2 mmm -59.78 -26.5 65.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.92 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.464 ' HB3' ' O ' ' A' ' 64' ' ' ARG . 17.1 t-20 -52.24 -52.75 50.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.901 173.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.2 m -75.87 -33.65 59.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.381 -177.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.94 -48.12 83.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.043 0.449 . . . . 0.0 110.399 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.537 ' HE2' ' HA ' ' A' ' 19' ' ' THR . 18.9 ttt -63.0 -44.7 95.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.809 177.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.39 93.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.445 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.91 92.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.985 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 77' ' ' VAL . 24.4 mm-40 -62.3 -47.55 83.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.439 178.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.44 -42.51 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 0.0 110.587 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.5 93.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.743 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -56.9 -39.46 74.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.535 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 73' ' ' GLU . 54.8 t -64.37 -48.22 86.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.107 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.415 HG13 ' CD1' ' A' ' 90' ' ' LEU . 36.4 t -72.31 -40.94 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.176 -177.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.59 -30.81 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 0.0 111.558 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.8 m -90.38 78.98 6.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.512 0.672 . . . . 0.0 110.368 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.8 p -158.35 168.85 11.61 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.343 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.09 142.11 97.66 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.012 1.808 . . . . 0.0 110.528 173.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.63 -20.53 69.38 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.502 2.135 . . . . 0.0 112.117 -171.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -88.29 -20.55 25.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.649 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.5 t -102.19 -16.7 16.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.139 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -51.42 -46.14 62.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.387 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.3 t -64.07 -41.82 97.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.687 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.69 -48.31 77.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.027 0.441 . . . . 0.0 110.648 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.485 HG12 ' HG ' ' A' ' 32' ' ' LEU . 93.9 t -63.96 -44.07 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.77 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.662 HD12 HG12 ' A' ' 120' ' ' VAL . 26.5 tp -61.85 -47.22 86.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 -177.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.53 -38.35 84.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.048 0.451 . . . . 0.0 110.336 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.6 m -64.12 -54.12 38.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.811 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 93' ' ' ILE . 0.7 OUTLIER -60.3 -46.66 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 179.09 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.54 -40.4 87.0 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.487 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.72 75.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.684 0.278 . . . . 0.0 110.747 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.51 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 96.6 m -64.89 -39.35 93.4 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.492 -179.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.882 ' HG ' ' HE3' ' A' ' 18' ' ' MET . 7.3 mp -54.31 -40.0 67.52 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.031 0.443 . . . . 0.0 111.084 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -67.1 -45.83 76.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.912 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.51 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 11.9 pt-20 -77.51 -36.06 52.92 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.499 -176.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.0 m -60.84 -35.3 76.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.428 176.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.5 ' HE2' ' HE1' ' A' ' 18' ' ' MET . 13.0 mmt -66.03 -44.2 85.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.881 177.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.459 ' O ' ' HA2' ' A' ' 106' ' ' GLY . 33.3 ttm -71.91 -21.7 61.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.924 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 99' ' ' GLU . 79.9 mt-30 -82.22 -40.84 21.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.962 0.41 . . . . 0.0 110.173 175.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.05 -53.17 10.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.802 -177.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.5 p -107.38 -33.1 7.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.085 0.469 . . . . 0.0 111.347 -175.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 102' ' ' MET . . . 104.19 -1.46 43.83 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.333 -176.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.6 p -132.09 148.48 52.49 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.342 -0.429 . . . . 0.0 109.902 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.2 t -85.12 103.63 12.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.086 0.469 . . . . 0.0 110.903 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.446 ' HB2' HG21 ' A' ' 8' ' ' ILE . 10.2 t70 -72.0 131.42 42.89 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 173.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -105.36 -27.42 11.49 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.468 -175.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.23 90.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.463 ' CZ ' ' HE3' ' A' ' 70' ' ' MET . 79.4 t80 -73.97 -49.18 25.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.316 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.522 ' HA ' HD21 ' A' ' 97' ' ' LEU . 7.8 m -56.97 -40.95 77.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.552 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.478 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 11.3 t30 -69.41 -43.16 74.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.557 0.218 . . . . 0.0 110.473 178.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.21 -48.15 76.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -177.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.408 HG23 HD23 ' A' ' 97' ' ' LEU . 61.1 t -61.57 -40.16 85.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.377 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.542 ' HE3' ' HA ' ' A' ' 117' ' ' MET . 31.2 mmt -66.4 -29.59 69.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -176.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 11.2 mm100 -85.47 -38.06 19.03 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.36 -179.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.485 HD22 ' HE1' ' B' ' 122' ' ' MET . 14.1 mt -56.03 -47.96 76.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.295 177.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.662 HG12 HD12 ' A' ' 90' ' ' LEU . 13.2 p -66.33 -34.19 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.652 -174.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 117' ' ' MET . 95.7 mttt -65.23 -46.22 81.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.324 0.583 . . . . 0.0 110.211 178.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.471 ' HE2' HD21 ' B' ' 119' ' ' LEU . 34.1 ttp -66.04 -39.16 89.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.429 -177.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 72.3 mt -71.15 -9.94 58.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.645 0.259 . . . . 0.0 111.633 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.689 179.84 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.957 ' HB ' HG23 ' B' ' 105' ' ' THR . 2.6 pp . . . . . 0 C--O 1.235 0.303 0 CA-C-O 121.22 0.533 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . 0.523 ' HZ3' ' HE2' ' B' ' 70' ' ' MET . 1.9 t-105 -80.22 74.37 7.05 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.464 0.65 . . . . 0.0 110.607 -171.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 17.8 m -122.33 -25.0 4.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.078 175.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -111.53 137.96 21.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.152 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -67.12 -43.22 6.69 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.628 2.219 . . . . 0.0 112.408 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -62.38 -44.45 96.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.151 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.28 99.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.134 0.492 . . . . 0.0 110.593 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.92 -43.6 95.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.715 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 41.1 ttm -62.08 -39.14 91.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.294 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 36.4 m -59.19 -45.71 90.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.693 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 1.042 ' HE3' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -59.1 -43.91 91.91 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.5 m -61.43 -50.77 71.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.986 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.35 -42.63 98.93 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -65.51 -29.6 70.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.269 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.446 HD21 ' HA ' ' B' ' 22' ' ' LEU . 24.7 mt -64.31 -46.39 83.77 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 173.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.78 -43.83 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.149 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.434 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 48.5 mt-30 -61.68 -44.35 97.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 177.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . 0.537 ' HA ' ' HD3' ' B' ' 28' ' ' ARG . 8.5 t -67.1 -32.02 72.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.964 0.411 . . . . 0.0 110.62 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.507 ' HB2' HD12 ' B' ' 32' ' ' LEU . . . -70.86 -40.5 72.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.242 0.544 . . . . 0.0 110.938 175.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 24.2 t -66.15 -39.6 89.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.793 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.537 ' HD3' ' HA ' ' B' ' 25' ' ' CYS . 3.0 ptm180 -75.65 -31.92 60.0 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.388 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.3 p -72.09 -49.59 35.1 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.534 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.87 24.08 62.8 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.552 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.6 p -95.94 -6.22 9.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.444 0.64 . . . . 0.0 110.445 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.507 HD12 ' HB2' ' B' ' 26' ' ' ALA . 6.1 mp -101.4 150.49 22.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.577 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 72.5 p -90.31 -179.33 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.891 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.0 -44.81 87.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.2 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.59 ' O ' ' HB2' ' B' ' 39' ' ' ASP . 16.2 m-20 -62.62 -41.39 98.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.576 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.486 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 52.3 mt-30 -70.07 -44.14 69.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.038 -179.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 83.9 mmm -67.62 -50.4 58.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.797 -177.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.06 -34.33 76.06 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.036 0.446 . . . . 0.0 110.307 -178.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.59 ' HB2' ' O ' ' B' ' 35' ' ' ASP . 0.4 OUTLIER -59.42 -53.66 55.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.499 177.422 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.549 ' HG2' HG22 ' B' ' 77' ' ' VAL . 1.1 mtm -66.63 -30.94 71.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.614 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.33 -46.41 90.74 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.33 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.48 ' HE3' ' HA ' ' A' ' 62' ' ' ARG . 24.9 ptt? -71.01 -24.23 62.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.049 0.452 . . . . 0.0 110.034 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' MET . . . . . 0.663 ' SD ' ' HG2' ' B' ' 70' ' ' MET . 53.9 ttp -59.43 -52.31 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.265 174.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.24 85.81 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.634 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -55.76 -43.01 76.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.464 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 64.6 m -63.74 -38.33 90.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.857 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.452 HG21 ' O ' ' B' ' 43' ' ' MET . 18.8 t -65.17 -40.36 88.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.156 0.503 . . . . 0.0 109.994 177.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -67.88 -47.08 69.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.541 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.498 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 4.4 p -64.08 -33.48 75.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.316 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -58.79 -45.11 90.61 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.676 0.274 . . . . 0.0 110.838 175.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 74.7 mtp -59.13 -32.91 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.757 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -79.15 -24.93 42.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.26 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' B' ' 49' ' ' SER . 2.7 mmmp? -81.99 -20.08 39.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.11 0.481 . . . . 0.0 110.659 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 76.5 mtm -104.23 -66.95 0.92 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.098 -178.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.96 -174.45 19.88 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 -176.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.71 151.57 36.55 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.515 2.143 . . . . 0.0 112.075 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 15.9 m120 59.39 70.26 1.14 Allowed Pre-proline 0 N--CA 1.465 0.291 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.725 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -83.84 168.27 12.46 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.583 2.188 . . . . 0.0 113.206 -175.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -67.0 140.44 54.52 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 123.048 2.499 . . . . 0.0 111.935 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -66.22 -33.58 76.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.754 -177.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.564 ' HA ' ' HG3' ' B' ' 64' ' ' ARG . 4.6 p80 -67.45 -32.7 73.73 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.867 -177.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -68.45 -23.62 64.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.248 0.547 . . . . 0.0 109.65 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.72 -43.63 19.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.766 177.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 0.564 ' HG3' ' HA ' ' B' ' 61' ' ' HIS . 2.2 ppt_? -65.88 -22.88 66.55 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.756 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.67 -51.57 10.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.636 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.415 ' HA ' ' HB2' ' B' ' 69' ' ' ALA . 92.6 mmm -62.23 -22.48 65.99 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.401 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -55.47 -44.03 76.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.154 0.502 . . . . 0.0 109.785 173.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 71.0 m -81.47 -34.35 31.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.96 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . 0.415 ' HB2' ' HA ' ' B' ' 66' ' ' MET . . . -59.56 -54.83 41.97 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' MET . . . . . 0.663 ' HG2' ' SD ' ' B' ' 43' ' ' MET . 10.8 tmm? -59.66 -42.12 92.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.623 0.725 . . . . 0.0 110.326 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . 0.584 ' HB2' ' CE1' ' B' ' 112' ' ' PHE . . . -65.79 -39.89 91.39 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.464 -177.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.71 96.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.742 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.459 ' O ' HG23 ' B' ' 77' ' ' VAL . 3.0 mm-40 -56.06 -56.64 18.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.637 175.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.439 HG23 ' SD ' ' B' ' 40' ' ' MET . 65.4 t -53.43 -49.01 56.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.532 178.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.82 99.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.529 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.623 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 40.6 tt0 -66.07 -39.26 89.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.743 0.306 . . . . 0.0 110.25 178.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.549 HG22 ' HG2' ' B' ' 40' ' ' MET . 41.6 t -57.32 -39.99 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.588 175.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.429 HG21 ' O ' ' B' ' 74' ' ' VAL . 77.0 t -71.38 -52.11 28.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.034 177.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.435 ' HB1' HG22 ' B' ' 120' ' ' VAL . . . -60.42 -35.71 76.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.22 -176.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 15.3 m -87.33 77.55 8.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.46 0.648 . . . . 0.0 110.731 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 66.4 p -156.72 165.32 19.01 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.039 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.0 142.48 99.44 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.076 1.851 . . . . 0.0 110.511 174.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -62.4 -20.99 72.08 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.332 2.021 . . . . 0.0 111.893 -173.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -80.02 -19.38 47.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.113 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 11.0 t -111.25 -19.12 12.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.322 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -51.32 -47.31 62.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.862 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 11.1 t -64.01 -39.3 93.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.853 0.359 . . . . 0.0 110.709 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.94 -46.07 72.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.89 -42.89 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.292 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.32 -52.21 66.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.388 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -60.22 -34.63 73.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.346 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 97.5 m -68.97 -55.57 10.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.725 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.2 mm -59.08 -46.14 92.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.085 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.25 -41.8 71.59 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.624 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.02 -37.81 57.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.564 0.221 . . . . 0.0 111.347 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' CYS . . . . . 0.449 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 89.7 m -63.63 -33.59 75.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.002 179.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 1.042 ' HG ' ' HE3' ' B' ' 18' ' ' MET . 3.1 mp -58.4 -43.21 88.49 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.472 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -63.48 -48.43 77.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.56 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' B' ' 103' ' ' GLN . 13.2 pt-20 -70.48 -38.81 74.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.096 -176.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 74.0 m -59.5 -38.54 81.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.741 0.305 . . . . 0.0 110.7 177.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.544 ' SD ' HG12 ' B' ' 8' ' ' ILE . 13.7 mmt -62.79 -42.76 99.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.922 178.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.408 ' O ' ' HA2' ' B' ' 106' ' ' GLY . 36.0 ttm -75.57 -21.12 58.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' B' ' 99' ' ' GLU . 17.2 mm-40 -83.0 -28.43 29.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.06 0.457 . . . . 0.0 110.279 175.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.14 -67.51 0.81 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.419 -177.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.957 HG23 ' HB ' ' B' ' 8' ' ' ILE . 82.3 p -92.08 -31.71 15.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.183 0.516 . . . . 0.0 110.614 -177.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' B' ' 102' ' ' MET . . . 103.17 -1.95 47.3 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -176.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' B' ' 101' ' ' MET . 22.9 p -131.95 149.97 52.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.443 -0.379 . . . . 0.0 110.194 -178.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 57.4 t -88.91 110.51 21.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.861 -179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . 0.419 ' HB2' HG22 ' B' ' 8' ' ' ILE . 12.8 t70 -86.79 109.22 19.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -82.29 -25.42 34.02 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.009 -0.277 . . . . 0.0 110.714 -177.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.18 -48.45 81.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.962 0.41 . . . . 0.0 110.925 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' B' ' 71' ' ' ALA . 78.9 t80 -67.6 -51.89 45.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.362 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.553 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 16.0 m -54.56 -34.76 62.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.669 177.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 9.5 t30 -71.19 -40.67 71.08 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 177.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -54.84 -49.27 71.49 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.285 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.487 HG23 HD22 ' B' ' 97' ' ' LEU . 98.9 t -59.85 -36.59 67.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.439 -178.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.554 ' O ' ' HG3' ' B' ' 121' ' ' LYS . 31.1 mmt -70.24 -35.16 73.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.029 0.442 . . . . 0.0 110.197 -177.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' B' ' 114' ' ' ASN . 14.1 mm100 -75.24 -42.43 55.3 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.414 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.471 HD21 ' HE2' ' A' ' 122' ' ' MET . 13.3 mt -55.75 -47.6 76.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.121 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . 0.435 HG22 ' HB1' ' B' ' 79' ' ' ALA . 11.9 p -70.22 -35.14 61.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.323 -175.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' B' ' 117' ' ' MET . 96.8 mttt -67.09 -45.58 76.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.035 0.445 . . . . 0.0 110.192 177.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.485 ' HE1' HD22 ' A' ' 119' ' ' LEU . 31.7 ttp -64.36 -40.11 95.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.018 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 80.0 mt -72.72 -11.69 60.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 111.279 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 18.3 t -98.93 7.92 45.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.125 0.488 . . . . 0.0 109.987 176.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.359 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.93 -178.547 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.668 ' HB ' HG23 ' A' ' 105' ' ' THR . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.98 0.419 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -87.14 75.3 9.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.252 0.549 . . . . 0.0 111.431 -176.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 p -120.87 -42.08 2.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.799 172.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -109.94 126.14 29.66 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.459 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -66.28 -33.27 39.59 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.675 2.25 . . . . 0.0 112.569 -175.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -71.92 -32.93 67.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.889 0.376 . . . . 0.0 110.32 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.48 86.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.095 0.474 . . . . 0.0 109.979 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.82 90.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.311 175.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.0 ttm -60.78 -29.66 69.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.856 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.5 m -62.36 -40.45 96.46 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.0 tpt -62.56 -42.19 99.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.305 174.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -63.39 -52.08 63.12 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.206 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -63.72 -44.89 92.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.302 -177.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.57 -33.82 75.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 0.0 110.555 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.666 HD13 HD11 ' A' ' 97' ' ' LEU . 12.3 tp -64.21 -45.39 88.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.278 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.7 t -66.28 -41.53 89.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.811 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -64.26 -35.22 80.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.658 0.266 . . . . 0.0 110.503 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.05 -35.06 79.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.341 0.591 . . . . 0.0 109.938 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.509 ' HB1' HD12 ' A' ' 32' ' ' LEU . . . -74.2 -35.73 63.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.292 0.568 . . . . 0.0 110.96 177.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.1 t -71.44 -26.47 62.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.266 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -90.01 -22.66 21.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.616 0.246 . . . . 0.0 111.107 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 p -82.21 -39.83 22.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.717 0.294 . . . . 0.0 110.922 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.25 8.92 80.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.63 177.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.601 HG12 HD13 ' A' ' 32' ' ' LEU . 14.2 p -79.12 -21.32 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.967 0.413 . . . . 0.0 110.389 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.601 HD13 HG12 ' A' ' 31' ' ' VAL . 5.4 mp -94.94 151.9 18.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.997 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.502 ' O ' ' HG2' ' A' ' 37' ' ' MET . 44.6 p -85.16 170.1 13.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.285 178.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.84 -30.56 71.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.95 0.405 . . . . 0.0 110.628 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.12 -54.0 51.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.552 174.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.46 ' HB3' ' CG1' ' A' ' 77' ' ' VAL . 47.8 mt-30 -65.44 -31.63 72.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.325 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' A' ' 33' ' ' THR . 88.1 mmm -68.8 -27.14 65.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.057 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.518 ' HB3' ' CE1' ' B' ' 61' ' ' HIS . 35.3 t70 -82.03 -28.42 32.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 177.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.511 ' OD2' ' HB1' ' B' ' 65' ' ' ALA . 0.9 OUTLIER -56.33 -60.86 2.91 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.501 0.667 . . . . 0.0 109.574 170.293 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.563 ' HG3' HG21 ' A' ' 77' ' ' VAL . 86.3 mtp -67.11 -26.42 66.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.704 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.13 -49.94 63.55 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.9 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.463 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 12.5 ptt? -71.81 -19.74 61.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.02 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.457 ' O ' HG21 ' A' ' 47' ' ' VAL . 57.4 ttp -60.52 -53.23 60.05 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 174.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.79 93.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.23 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.463 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 27.4 t70 -59.12 -42.63 91.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.042 177.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m -65.77 -33.85 76.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.82 0.343 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.457 HG21 ' O ' ' A' ' 43' ' ' MET . 47.8 t -70.01 -46.06 74.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.038 0.447 . . . . 0.0 110.009 176.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -64.76 -46.56 81.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.875 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.726 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 15.7 p -64.35 -33.53 76.05 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.3 -178.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.633 ' O ' ' HG2' ' A' ' 54' ' ' MET . 41.5 mt-30 -67.46 -33.69 75.64 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.241 -0.583 . . . . 0.0 111.294 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.491 ' HA ' ' HG2' ' A' ' 54' ' ' MET . 55.8 mtp -67.74 -21.42 65.28 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -97.03 -13.61 22.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.833 0.349 . . . . 0.0 110.789 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.726 ' HG2' ' O ' ' A' ' 49' ' ' SER . 75.0 mmtt -80.65 -35.02 34.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.261 0.553 . . . . 0.0 109.555 171.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.633 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 24.7 ptp -90.16 172.86 8.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.219 179.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -111.51 -172.47 19.36 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.874 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.68 129.18 26.84 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.668 2.245 . . . . 0.0 111.595 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 59.23 84.5 0.2 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.853 -172.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.529 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 74.2 Cg_endo -74.09 167.88 26.13 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.083 2.522 . . . . 0.0 112.795 -174.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -58.97 125.31 17.83 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.349 2.033 . . . . 0.0 111.412 174.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -58.87 -36.27 74.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.342 -175.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.763 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 5.5 p80 -68.1 -20.2 64.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.171 0.51 . . . . 0.0 110.854 -178.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.568 ' O ' ' HG3' ' A' ' 66' ' ' MET . 33.8 ttt180 -73.36 -36.95 66.2 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.54 -41.17 93.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.697 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.763 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 38.8 ptt180 -61.3 -40.17 93.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.447 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.512 ' HA ' ' HG3' ' B' ' 76' ' ' GLU . . . -68.67 -41.47 79.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.93 0.395 . . . . 0.0 111.133 178.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.568 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 82.1 mtp -67.39 -20.9 65.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.572 -176.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -56.96 -51.99 66.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.852 0.358 . . . . 0.0 110.344 174.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.456 HG23 ' HB3' ' B' ' 72' ' ' ALA . 7.1 m -72.78 -26.8 61.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.875 -178.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.04 -61.07 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.381 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.533 ' HE3' ' CZ ' ' A' ' 112' ' ' PHE . 57.7 ttp -60.57 -35.92 77.24 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.883 0.373 . . . . 0.0 110.582 -179.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.462 ' HB1' ' CE1' ' A' ' 112' ' ' PHE . . . -65.11 -52.77 53.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.512 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.86 83.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.424 -176.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.588 ' O ' HG22 ' A' ' 77' ' ' VAL . 9.9 mm-40 -59.94 -48.03 83.36 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.782 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.29 -44.66 98.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.323 . . . . 0.0 111.05 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.5 -39.37 90.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.645 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -59.51 -44.48 93.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.739 176.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 73' ' ' GLU . 69.1 t -61.57 -44.49 98.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.328 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.29 -47.2 47.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.401 -177.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.38 -38.51 91.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 111.395 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.7 m -86.36 68.02 10.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.443 0.64 . . . . 0.0 110.202 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.1 m -137.46 160.74 64.17 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.21 178.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.87 136.27 72.45 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.733 1.622 . . . . 0.0 110.384 173.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -62.84 -15.27 46.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.612 2.208 . . . . 0.0 112.463 -172.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -80.08 -13.69 59.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.232 -178.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.5 t -132.69 7.56 4.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.766 0.317 . . . . 0.0 111.221 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -57.63 -49.78 75.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.549 -178.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 t -65.29 -35.5 81.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.78 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.0 -49.69 71.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.081 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.74 -43.64 98.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.04 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.8 -51.55 69.12 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.399 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -55.61 -43.52 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.33 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.2 m -61.56 -56.63 17.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.225 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.4 mm -59.56 -45.27 94.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.318 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.81 -36.72 73.86 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.492 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.87 -39.24 51.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.656 0.265 . . . . 0.0 110.821 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.518 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 72.2 m -62.29 -40.77 97.37 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.682 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.666 HD11 HD13 ' A' ' 22' ' ' LEU . 6.3 mp -54.19 -40.34 67.47 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.906 0.384 . . . . 0.0 111.211 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.41 ' HG3' HG11 ' A' ' 108' ' ' VAL . 76.7 ttt180 -64.58 -48.98 72.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.733 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.518 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 14.8 pt-20 -76.32 -32.59 58.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.383 -174.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.4 m -63.81 -41.08 97.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.923 -0.126 . . . . 0.0 110.665 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.449 ' HB3' ' O ' ' A' ' 107' ' ' SER . 11.4 mmt -63.51 -41.62 98.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.933 0.397 . . . . 0.0 110.95 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.485 ' HE3' HG21 ' A' ' 108' ' ' VAL . 28.6 ttm -70.27 -19.97 63.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -96.87 -6.08 36.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.184 0.516 . . . . 0.0 110.549 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -99.89 -58.9 1.82 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.789 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.668 HG23 ' HB ' ' A' ' 8' ' ' ILE . 79.8 p -111.83 -16.52 13.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.118 0.485 . . . . 0.0 111.261 -177.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.19 1.56 69.47 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.694 -177.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.449 ' O ' ' HB3' ' A' ' 101' ' ' MET . 14.9 m -131.74 153.17 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.485 HG21 ' HE3' ' A' ' 102' ' ' MET . 77.9 t -104.27 103.3 15.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.934 0.397 . . . . 0.0 110.726 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.7 119.73 20.13 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.364 175.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -81.08 -23.45 38.47 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.562 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.01 77.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.686 0.279 . . . . 0.0 110.88 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.533 ' CZ ' ' HE3' ' A' ' 70' ' ' MET . 71.1 t80 -71.47 -50.95 26.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.518 -179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.498 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 8.6 m -54.71 -40.87 69.65 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.632 178.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.536 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 63.7 t30 -70.21 -42.0 72.92 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -53.15 -50.92 63.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.735 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.526 ' HA ' HD13 ' A' ' 119' ' ' LEU . 59.5 t -64.37 -32.73 58.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.425 -178.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.589 ' HE3' ' HA ' ' A' ' 117' ' ' MET . 27.3 mmt -72.48 -35.94 68.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.124 0.488 . . . . 0.0 109.982 -178.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 75.4 mm-40 -74.85 -37.59 62.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.863 178.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.526 HD13 ' HA ' ' A' ' 116' ' ' VAL . 12.6 mt -55.6 -53.39 57.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.85 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.16 -31.27 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.414 -174.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 117' ' ' MET . 96.0 mttt -71.0 -45.26 64.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.053 176.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.496 ' HE2' HD21 ' B' ' 119' ' ' LEU . 43.5 ttp -60.62 -43.53 97.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.98 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 86.0 mt -66.89 -29.96 69.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 110.726 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.327 -0.39 0 CA-C-O 121.63 0.729 . . . . 0.0 110.076 178.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.986 ' HB ' HG23 ' B' ' 105' ' ' THR . 2.6 pp . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 121.603 0.716 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 20.7 t-105 -90.11 29.82 1.17 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.673 -168.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.1 p -92.21 -8.52 45.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.225 0.536 . . . . 0.0 110.219 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.488 ' HB2' ' HB2' ' B' ' 14' ' ' ALA . 83.0 m-20 -118.35 127.84 26.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.347 178.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.29 -44.32 2.47 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.669 2.246 . . . . 0.0 113.249 -173.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.409 ' HB2' ' HE2' ' B' ' 51' ' ' MET . 28.5 t-20 -76.42 -34.56 58.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.677 0.275 . . . . 0.0 110.546 -178.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.488 ' HB2' ' HB2' ' B' ' 11' ' ' ASN . . . -64.27 -38.37 90.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.114 0.483 . . . . 0.0 109.881 174.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.56 -44.19 94.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.224 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' MET . . . . . 0.438 ' HE1' ' SD ' ' B' ' 51' ' ' MET . 39.2 ttm -59.01 -27.29 65.3 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.914 177.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.406 ' HB ' ' HB1' ' B' ' 104' ' ' ALA . 14.9 m -63.1 -40.05 96.49 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.343 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.814 ' SD ' ' HE3' ' B' ' 101' ' ' MET . 12.1 ttt -63.16 -43.51 98.08 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 175.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.22 -46.2 86.33 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.669 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.89 -42.94 80.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.95 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -64.48 -33.11 75.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.818 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 18' ' ' MET . 54.7 mt -61.81 -46.82 87.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.332 . . . . 0.0 110.577 175.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.32 -41.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.419 178.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -63.46 -40.18 96.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.978 176.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . 0.593 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 49.0 t -68.56 -39.41 81.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.938 0.399 . . . . 0.0 110.561 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.489 ' HB3' HD12 ' B' ' 32' ' ' LEU . . . -64.68 -37.34 87.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.091 0.472 . . . . 0.0 110.491 175.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 47.2 t -72.1 -30.52 65.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.831 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.593 ' HG2' ' O ' ' B' ' 25' ' ' CYS . 9.0 ptm180 -82.84 -15.32 52.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.734 0.302 . . . . 0.0 110.696 -178.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.6 p -94.86 -49.11 5.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.725 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.88 20.41 70.71 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.392 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.537 HG12 HD13 ' B' ' 32' ' ' LEU . 14.9 p -88.16 -12.88 10.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.176 0.512 . . . . 0.0 110.399 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.537 HD13 HG12 ' B' ' 31' ' ' VAL . 5.7 mp -102.9 153.61 20.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.284 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' THR . . . . . 0.413 ' O ' ' HG2' ' B' ' 37' ' ' MET . 78.6 p -87.91 167.65 13.57 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.138 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.72 -33.83 73.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.998 0.428 . . . . 0.0 110.725 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -54.73 -50.84 67.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.962 174.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.401 HE22 ' HB3' ' B' ' 81' ' ' SER . 93.8 mt-30 -71.95 -35.76 69.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.323 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' B' ' 33' ' ' THR . 95.5 mmm -66.3 -33.09 74.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.12 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -74.92 -32.5 61.8 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.407 ' HB3' HG22 ' B' ' 77' ' ' VAL . 0.8 OUTLIER -55.55 -52.6 63.17 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.205 0.526 . . . . 0.0 110.232 170.557 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.46 ' O ' ' HB3' ' B' ' 43' ' ' MET . 87.7 mtp -68.58 -33.64 74.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.956 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.11 -46.26 91.63 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.169 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.522 ' HE3' ' HA ' ' A' ' 62' ' ' ARG . 18.6 ptt? -73.76 -19.98 60.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.096 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' MET . . . . . 0.46 ' HB3' ' O ' ' B' ' 40' ' ' MET . 47.0 ttp -62.24 -48.16 81.18 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 173.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.71 -35.96 82.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.315 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.34 -38.68 92.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.383 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 33.0 t -63.42 -42.7 98.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.397 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 43' ' ' MET . 41.1 t -62.21 -39.51 84.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.356 0.598 . . . . 0.0 109.656 176.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -64.76 -46.74 80.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.992 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.614 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 11.4 p -69.41 -26.4 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.524 -177.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.582 ' O ' ' HG2' ' B' ' 54' ' ' MET . 16.0 mm100 -74.17 -24.54 59.4 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.089 -0.382 . . . . 0.0 110.901 175.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.438 ' SD ' ' HE1' ' B' ' 16' ' ' MET . 52.5 mtp -76.41 -20.58 56.96 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.138 176.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.508 ' HG2' ' HA ' ' B' ' 49' ' ' SER . 10.0 pt20 -93.92 -13.23 27.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.915 0.388 . . . . 0.0 110.458 174.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' B' ' 49' ' ' SER . 34.8 mmtp -71.25 -35.76 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 169.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' B' ' 50' ' ' GLN . 22.2 ptp -96.96 -175.49 3.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.585 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.83 -144.61 4.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.566 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -70.99 -20.49 28.99 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.186 2.591 . . . . 0.0 112.23 -178.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -130.4 79.37 72.55 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.12 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . 0.543 ' HB3' ' HB2' ' B' ' 54' ' ' MET . 91.8 Cg_endo -81.03 160.53 20.8 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.428 2.085 . . . . 0.0 113.142 -178.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -80.62 111.6 2.58 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.09 2.527 . . . . 0.0 111.302 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.94 -23.81 65.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.668 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.626 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 5.7 p80 -69.1 -25.57 64.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.103 0.478 . . . . 0.0 110.539 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' B' ' 66' ' ' MET . 95.0 mtt180 -73.51 -21.98 60.25 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.446 175.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 79.4 mt -76.84 -37.37 55.76 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.444 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 50.3 ptt85 -63.87 -35.9 82.17 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.397 -0.521 . . . . 0.0 109.671 176.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.511 ' HB1' ' OD2' ' A' ' 39' ' ' ASP . . . -68.38 -41.16 80.99 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.905 0.384 . . . . 0.0 111.034 175.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.441 ' HG3' ' O ' ' B' ' 62' ' ' ARG . 61.1 mtp -67.51 -24.87 65.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.78 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -57.57 -56.2 25.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.898 0.38 . . . . 0.0 110.161 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 12.6 m -69.14 -24.33 64.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.908 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.2 -58.56 7.82 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.986 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' MET . . . . . 0.591 ' HE1' ' SD ' ' B' ' 18' ' ' MET . 47.4 ttp -61.77 -39.82 93.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.204 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . 0.507 ' HB1' HG23 ' B' ' 116' ' ' VAL . . . -59.52 -48.08 83.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.408 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.456 ' HB3' HG23 ' A' ' 68' ' ' THR . . . -69.89 -36.97 75.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.372 -178.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.557 ' O ' HG21 ' B' ' 77' ' ' VAL . 28.5 mm-40 -59.29 -46.05 89.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.773 0.321 . . . . 0.0 110.415 177.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.14 -44.63 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 177.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.46 91.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.813 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.512 ' HG3' ' HA ' ' A' ' 65' ' ' ALA . 5.6 tm-20 -58.64 -49.26 78.18 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.99 176.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.557 HG21 ' O ' ' B' ' 73' ' ' GLU . 94.7 t -58.03 -44.36 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.267 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.3 t -70.37 -42.89 78.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.107 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.34 -39.94 85.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.426 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' THR . . . . . 0.633 HG23 ' HD2' ' A' ' 64' ' ' ARG . 22.9 m -80.41 79.88 6.94 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.544 0.687 . . . . 0.0 110.218 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.401 ' HB3' HE22 ' B' ' 36' ' ' GLN . 55.4 p -151.74 172.55 5.32 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.94 179.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.77 127.98 20.97 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.182 1.255 . . . . 0.0 109.673 169.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.92 -14.46 37.06 Favored 'Trans proline' 0 CA--C 1.526 0.117 0 C-N-CA 122.799 2.332 . . . . 0.0 112.578 -170.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -85.39 -17.29 37.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.944 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 32.2 t -117.48 3.64 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.385 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -56.07 -42.67 77.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.515 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 35.4 t -61.99 -42.23 98.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.191 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.49 -50.0 71.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.01 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.2 -42.13 94.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.384 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.29 -53.11 62.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.634 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -57.66 -37.18 72.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.514 -178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.413 ' OG1' HG11 ' B' ' 31' ' ' VAL . 87.0 m -62.89 -59.04 5.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.456 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' B' ' 93' ' ' ILE . 1.0 OUTLIER -56.85 -40.64 72.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.187 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -53.0 -46.73 60.94 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 121.209 -0.519 . . . . 0.0 112.373 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.33 -36.07 61.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.712 0.291 . . . . 0.0 110.873 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' CYS . . . . . 0.54 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 89.2 m -59.62 -37.83 79.68 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.676 ' HG ' ' HE3' ' B' ' 18' ' ' MET . 4.7 mp -58.34 -42.16 86.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.891 0.377 . . . . 0.0 110.834 178.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -65.86 -49.6 67.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.462 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.54 ' HG2' ' HA ' ' B' ' 96' ' ' CYS . 10.1 pt-20 -69.04 -32.64 72.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.224 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 67.2 m -62.52 -39.85 94.85 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.389 0.137 . . . . 0.0 110.675 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.814 ' HE3' ' SD ' ' B' ' 18' ' ' MET . 15.2 mmt -61.71 -47.34 85.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.887 178.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.517 ' HE1' HG22 ' B' ' 108' ' ' VAL . 14.2 ttm -66.76 -33.67 76.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -85.17 -3.57 58.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.918 0.389 . . . . 0.0 111.442 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . 0.406 ' HB1' ' HB ' ' B' ' 17' ' ' THR . . . -106.59 -63.97 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.186 0.517 . . . . 0.0 111.146 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.986 HG23 ' HB ' ' B' ' 8' ' ' ILE . 75.9 p -100.14 -25.35 14.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.242 -174.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 99.96 -0.93 56.36 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' B' ' 101' ' ' MET . 39.6 m -132.73 154.15 50.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.517 HG22 ' HE1' ' B' ' 102' ' ' MET . 55.6 t -111.0 119.71 60.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.99 0.424 . . . . 0.0 111.328 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -100.96 123.52 45.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.915 173.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -91.21 -16.52 27.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.671 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.83 77.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.781 0.324 . . . . 0.0 110.888 -177.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . 0.412 ' O ' HG22 ' B' ' 116' ' ' VAL . 82.4 t80 -64.55 -54.88 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.043 177.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.487 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 13.9 m -48.78 -45.49 40.16 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.999 176.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . 0.445 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 41.6 t30 -60.7 -47.45 86.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.988 0.423 . . . . 0.0 110.916 177.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -63.41 -36.76 84.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.771 -176.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.519 ' HA ' HD13 ' B' ' 119' ' ' LEU . 64.1 t -65.8 -34.39 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 176.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.569 ' HA ' ' HE2' ' B' ' 117' ' ' MET . 26.0 mmt -68.25 -30.12 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' B' ' 114' ' ' ASN . 28.9 mm-40 -74.51 -42.64 58.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.789 177.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' B' ' 116' ' ' VAL . 7.2 mt -56.06 -48.22 76.46 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.357 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.67 -30.37 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.367 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' B' ' 117' ' ' MET . 88.6 mttt -60.81 -53.62 55.11 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.244 0.545 . . . . 0.0 110.242 174.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.499 ' HE3' ' CD2' ' A' ' 119' ' ' LEU . 36.3 ttp -58.55 -39.96 81.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.594 -176.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 79.7 mt -71.9 -5.91 38.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 111.246 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 32.4 t -120.71 14.74 11.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.116 0.484 . . . . 0.0 109.943 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.471 0 CA-C-O 121.16 0.505 . . . . 0.0 111.411 -177.667 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.411 HG12 ' HE1' ' A' ' 101' ' ' MET . 16.2 pt . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.668 0.27 . . . . 0.0 111.339 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.446 ' CZ2' ' HA ' ' A' ' 67' ' ' ASN . 84.4 m95 -72.1 88.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.824 0.821 . . . . 0.0 111.748 -175.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.7 m -152.69 -44.85 0.1 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.418 176.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.431 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 92.2 m-20 -96.95 121.96 57.86 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.78 174.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 11' ' ' ASN . 17.7 Cg_exo -61.25 -43.84 26.72 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.812 2.341 . . . . 0.0 112.407 -176.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -68.81 -38.41 79.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -176.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.32 -43.93 97.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.414 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.32 82.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.65 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.4 ttm -61.68 -30.0 70.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.635 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.8 m -65.37 -35.84 82.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.159 177.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.859 ' HE2' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -65.76 -42.19 91.19 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 176.584 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.407 ' HA ' ' HE1' ' A' ' 70' ' ' MET . 1.1 m -62.3 -43.78 98.03 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.831 178.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -62.33 -54.74 36.18 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.265 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -60.13 -35.16 74.65 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.983 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.561 HD13 HD12 ' A' ' 97' ' ' LEU . 16.0 tp -61.12 -48.01 83.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.713 -179.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.5 t -63.94 -39.94 87.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.642 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -66.38 -38.56 87.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.049 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.9 t -65.65 -40.98 93.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.116 0.484 . . . . 0.0 109.976 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.58 -38.86 87.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.152 0.501 . . . . 0.0 110.828 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.5 t -62.63 -40.15 96.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.31 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -83.58 -11.86 56.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.591 -175.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.9 p -79.37 -58.35 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.567 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.54 0.56 60.88 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.767 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.862 HG22 HD11 ' A' ' 32' ' ' LEU . 5.2 m -74.04 -27.11 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.979 0.419 . . . . 0.0 110.538 177.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.862 HD11 HG22 ' A' ' 31' ' ' VAL . 5.5 mp -93.21 148.45 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.368 177.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.2 p -84.29 168.78 15.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.967 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.18 -25.81 67.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.067 0.46 . . . . 0.0 110.342 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.48 -55.81 18.31 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.691 176.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -62.24 -43.89 97.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.49 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 82.5 mmm -62.87 -38.18 89.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.72 -178.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.468 ' OD2' ' HE1' ' B' ' 61' ' ' HIS . 19.7 t70 -67.18 -38.14 84.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.798 0.332 . . . . 0.0 110.576 -178.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -64.72 -40.25 95.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.989 0.423 . . . . 0.0 110.532 176.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.551 ' O ' ' HB3' ' A' ' 43' ' ' MET . 90.7 mtp -68.7 -27.02 65.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.165 0.507 . . . . 0.0 110.175 175.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.73 -46.65 93.23 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.65 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.575 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 10.8 ptt? -73.05 -18.46 61.32 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.307 178.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.551 ' HB3' ' O ' ' A' ' 40' ' ' MET . 59.3 ttp -58.63 -56.64 19.53 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 172.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.9 90.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.56 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.575 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 26.1 t70 -61.0 -43.12 99.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.987 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.1 p -65.57 -37.98 88.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.536 0.208 . . . . 0.0 110.969 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 43' ' ' MET . 14.3 t -70.0 -40.12 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.292 0.567 . . . . 0.0 109.493 175.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -57.93 -54.78 43.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.056 -0.974 . . . . 0.0 111.604 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 p -70.93 -32.92 69.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.871 -176.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -72.45 -28.28 62.83 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.348 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -58.18 -52.99 63.27 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.424 176.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -71.66 -18.83 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.056 0.455 . . . . 0.0 110.983 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -70.76 -17.86 62.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.776 172.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.569 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 75.6 mtm -107.26 -52.05 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.37 -149.26 20.09 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.249 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.4 140.39 43.9 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.834 2.356 . . . . 0.0 112.527 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 45.42 70.19 2.14 Favored Pre-proline 0 N--CA 1.464 0.229 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.308 -177.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.569 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 24.5 Cg_exo -65.2 158.03 54.39 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 123.042 2.495 . . . . 0.0 112.743 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.02 119.23 6.21 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.764 2.31 . . . . 0.0 111.629 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -53.41 -32.32 49.09 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -175.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.783 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 34.9 p80 -64.6 -27.88 69.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.2 0.524 . . . . 0.0 111.057 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.548 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 15.0 ttm180 -72.5 -27.63 62.39 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.97 -40.41 53.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.7 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.783 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 32.5 ptt180 -61.85 -37.26 83.81 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.107 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.765 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -76.53 -37.15 57.14 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.059 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.483 ' HA ' ' HB2' ' A' ' 69' ' ' ALA . 94.9 mmm -69.03 -23.4 64.07 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 121.173 -0.211 . . . . 0.0 111.028 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.446 ' HA ' ' CZ2' ' A' ' 9' ' ' TRP . 21.4 t30 -55.19 -55.12 34.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.157 0.503 . . . . 0.0 109.895 172.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.488 HG23 ' HB2' ' B' ' 72' ' ' ALA . 28.7 m -73.37 -30.7 63.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.11 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' A' ' 66' ' ' MET . . . -61.75 -59.67 4.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.925 177.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.407 ' HE1' ' HA ' ' A' ' 19' ' ' THR . 20.1 ttt -55.32 -44.94 76.3 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.809 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.442 ' HB2' HG23 ' A' ' 116' ' ' VAL . . . -62.1 -44.14 97.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.439 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.454 ' HB3' HG22 ' B' ' 68' ' ' THR . . . -68.7 -34.74 76.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.227 -178.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 48.4 mt-10 -62.86 -40.89 98.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.432 178.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.6 t -70.19 -46.18 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.718 176.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.28 75.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.809 0.337 . . . . 0.0 110.886 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.59 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 26.6 tp10 -62.71 -48.91 77.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.513 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.82 -27.97 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.55 -177.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 94.7 t -76.86 -35.28 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.882 0.372 . . . . 0.0 110.269 177.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.04 -40.75 52.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.132 -177.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.5 m -90.74 72.98 6.68 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.627 0.727 . . . . 0.0 109.957 176.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.5 p -134.11 171.13 9.61 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 114.856 -1.065 . . . . 0.0 108.831 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -58.33 133.61 56.1 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 121.545 1.496 . . . . 0.0 110.736 173.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.63 -11.07 28.93 Favored 'Trans proline' 0 C--N 1.34 0.079 0 C-N-CA 122.469 2.113 . . . . 0.0 112.162 -173.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -97.8 -3.77 38.24 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.597 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.8 t -128.72 -0.8 5.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.687 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -50.33 -58.87 4.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.555 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.3 m -60.65 -29.66 69.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.667 -176.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.1 -47.05 60.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.82 0.343 . . . . 0.0 110.197 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.53 -42.88 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.231 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.38 -52.97 63.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.554 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.5 -37.05 84.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.837 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.4 m -63.65 -55.12 25.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.68 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -60.28 -44.76 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.886 178.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.06 -41.71 85.86 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.55 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.94 -42.77 76.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.781 0.324 . . . . 0.0 110.586 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 84.7 m -59.28 -39.64 83.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.413 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.859 ' HG ' ' HE2' ' A' ' 18' ' ' MET . 6.4 mp -56.0 -44.29 78.48 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.655 0.264 . . . . 0.0 111.443 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -60.84 -52.88 63.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.048 0.452 . . . . 0.0 110.788 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -63.15 -47.65 81.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.909 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.6 m -55.55 -37.85 68.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.536 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.476 ' HE3' ' HG3' ' A' ' 18' ' ' MET . 9.2 mmt -63.26 -44.44 95.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.975 0.416 . . . . 0.0 110.699 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.442 ' HE3' HG21 ' A' ' 108' ' ' VAL . 17.2 ttm -68.99 -30.51 68.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.052 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -79.9 -26.13 40.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.968 0.413 . . . . 0.0 110.724 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.05 -60.85 1.97 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.271 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.7 p -103.19 -41.46 6.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.256 0.551 . . . . 0.0 111.078 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 115.22 -4.66 21.95 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -174.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.0 m -126.42 137.93 53.48 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.442 HG21 ' HE3' ' A' ' 102' ' ' MET . 57.4 t -87.23 106.89 16.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.833 0.349 . . . . 0.0 110.268 179.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -76.58 124.34 27.47 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.937 173.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -90.81 -15.36 30.2 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.104 -177.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.06 -51.03 51.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.728 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -68.57 -48.59 63.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.218 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.527 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 17.8 m -55.94 -42.49 76.24 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.481 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -72.68 -37.14 67.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.71 0.29 . . . . 0.0 110.576 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.29 -46.84 87.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.644 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.442 HG23 ' HB2' ' A' ' 71' ' ' ALA . 57.3 t -61.88 -34.38 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.826 178.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.558 ' HA ' ' HE1' ' A' ' 117' ' ' MET . 30.3 mmt -70.11 -45.19 67.44 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -178.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -63.54 -38.47 91.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.968 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 32.4 mt -59.75 -50.15 74.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.991 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.1 p -73.74 -34.53 41.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.205 -175.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -71.6 -23.36 61.7 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.679 0.276 . . . . 0.0 110.569 177.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -80.13 -45.69 17.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.765 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 67.8 mt -69.9 -23.16 63.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.282 0.563 . . . . 0.0 110.964 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.884 176.445 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.483 HD11 ' HE1' ' B' ' 101' ' ' MET . 2.7 pp . . . . . 0 C--O 1.236 0.35 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -75.71 67.64 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.272 0.558 . . . . 0.0 111.639 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 85.8 m -118.06 -43.02 2.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.568 172.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -103.87 122.71 43.56 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.248 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -61.59 -40.27 48.15 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.891 2.394 . . . . 0.0 111.934 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.2 -43.07 99.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.723 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.46 89.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.723 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.2 96.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.471 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.0 ttm -65.04 -30.07 71.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.769 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 38.9 m -63.68 -39.15 93.62 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 1.03 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -63.98 -47.0 82.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.546 176.334 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.417 ' O ' HG22 ' B' ' 23' ' ' VAL . 1.5 m -58.47 -43.75 89.04 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.038 178.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -69.28 -50.48 46.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.479 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -63.15 -31.99 73.27 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.795 0.331 . . . . 0.0 110.641 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.576 HD13 HD12 ' B' ' 97' ' ' LEU . 19.0 tp -60.16 -46.0 91.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.916 177.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.417 HG22 ' O ' ' B' ' 19' ' ' THR . 91.0 t -63.94 -41.51 92.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.743 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -62.01 -44.45 96.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.36 . . . . 0.0 110.784 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 33.7 t -66.12 -42.61 88.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.044 0.449 . . . . 0.0 110.552 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.72 -35.29 79.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.234 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 47.4 t -70.53 -17.58 62.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.318 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -111.09 13.53 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.717 0.294 . . . . 0.0 110.916 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.478 ' HB2' HG23 ' B' ' 92' ' ' THR . 91.1 p -73.42 -42.69 61.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.743 -174.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.12 12.59 83.87 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -171.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.52 ' HB ' HD11 ' B' ' 32' ' ' LEU . 4.9 t -111.23 -44.04 5.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.036 0.446 . . . . 0.0 110.274 -178.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.52 HD11 ' HB ' ' B' ' 31' ' ' VAL . 6.4 mp -88.36 151.19 22.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.085 -175.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 65.6 p -94.27 168.68 10.75 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.259 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.23 -27.72 69.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.098 0.475 . . . . 0.0 110.355 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -58.93 -59.25 5.76 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.745 175.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.502 ' HB3' ' HB ' ' B' ' 77' ' ' VAL . 37.6 mt-30 -63.18 -39.42 94.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.711 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 76.5 mmm -68.49 -35.54 77.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.968 -177.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -72.13 -28.79 63.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.977 0.418 . . . . 0.0 109.943 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.721 ' O ' ' HG2' ' B' ' 42' ' ' MET . 70.3 m-20 -67.57 -41.27 84.44 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.214 0.531 . . . . 0.0 110.552 171.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.559 ' O ' ' HB3' ' B' ' 43' ' ' MET . 85.4 mtp -71.61 -31.92 67.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.175 0.512 . . . . 0.0 110.732 177.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.19 -43.72 96.68 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.645 175.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.721 ' HG2' ' O ' ' B' ' 39' ' ' ASP . 16.8 ptt? -66.39 -28.18 68.44 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' MET . . . . . 0.559 ' HB3' ' O ' ' B' ' 40' ' ' MET . 54.6 ttp -57.42 -50.76 71.96 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.27 175.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.91 98.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.355 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -75.61 -31.71 60.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.933 -175.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.6 p -68.44 -41.04 80.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.691 0.281 . . . . 0.0 110.938 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 43' ' ' MET . 43.1 t -61.58 -41.33 89.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.469 0.652 . . . . 0.0 109.522 173.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -63.39 -48.76 76.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.268 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.515 ' HA ' ' HG2' ' B' ' 52' ' ' GLN . 11.1 p -67.42 -33.02 74.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.671 -176.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.562 ' HG3' ' HE2' ' B' ' 54' ' ' MET . 8.9 tp-100 -62.65 -41.43 99.04 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 81.4 mmm -62.75 -45.75 91.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.648 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.515 ' HG2' ' HA ' ' B' ' 49' ' ' SER . 12.7 pt20 -72.46 -22.01 61.14 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.15 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -69.59 -42.97 73.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.498 172.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' MET . . . . . 0.562 ' HE2' ' HG3' ' B' ' 50' ' ' GLN . 69.5 mtm -79.21 -56.79 4.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.126 -178.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.56 -152.18 16.97 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.878 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.31 130.64 17.75 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.612 2.208 . . . . 0.0 112.256 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 63.78 88.68 0.11 Allowed Pre-proline 0 N--CA 1.466 0.355 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.805 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -87.44 162.28 8.17 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.87 2.38 . . . . 0.0 112.584 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.513 ' HG2' ' HB2' ' B' ' 62' ' ' ARG . 36.9 Cg_endo -66.66 148.39 83.06 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.823 2.349 . . . . 0.0 111.728 178.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -69.8 -34.83 74.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.982 0.42 . . . . 0.0 111.204 -174.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.713 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 19.6 p80 -65.07 -19.89 66.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.999 0.428 . . . . 0.0 111.213 178.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.53 ' O ' ' HG2' ' B' ' 66' ' ' MET . 0.1 OUTLIER -63.9 -45.65 88.37 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 175.153 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' B' ' 63' ' ' LEU . 3.6 mm? -64.9 -41.46 95.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.96 -179.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 0.713 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 30.5 ptt180 -59.22 -36.61 75.73 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.724 0.297 . . . . 0.0 110.631 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.59 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -82.14 -40.17 22.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.507 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.53 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 93.8 mmm -62.15 -32.84 73.49 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.579 0.228 . . . . 0.0 111.069 -179.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -53.0 -54.46 34.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.645 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.454 HG22 ' HB3' ' A' ' 72' ' ' ALA . 4.5 m -69.03 -34.69 75.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.213 -177.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -62.86 -56.51 16.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.941 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' MET . . . . . 0.412 ' HE1' ' HA ' ' B' ' 19' ' ' THR . 21.7 ttt -54.96 -46.02 75.0 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.874 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.77 -42.86 94.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.507 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.488 ' HB2' HG23 ' A' ' 68' ' ' THR . . . -66.7 -35.21 79.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.246 -178.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 45.6 mt-10 -62.99 -41.28 99.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.31 . . . . 0.0 110.673 178.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.472 ' O ' HG22 ' B' ' 78' ' ' VAL . 73.7 t -68.86 -44.83 81.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.598 176.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.74 -36.97 75.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.806 0.336 . . . . 0.0 110.836 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.765 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 31.0 tp10 -59.9 -49.58 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.333 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.502 ' HB ' ' HB3' ' B' ' 36' ' ' GLN . 34.0 m -72.55 -25.14 22.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -175.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.472 HG22 ' O ' ' B' ' 74' ' ' VAL . 64.3 t -79.64 -34.94 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.069 0.462 . . . . 0.0 110.252 177.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.64 -46.01 20.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.173 -176.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 30.6 m -83.95 77.2 9.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.738 0.78 . . . . 0.0 109.95 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.0 p -147.67 173.02 4.53 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.689 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.69 133.09 43.34 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.561 1.507 . . . . 0.0 110.503 172.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.37 -12.99 37.96 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.436 2.091 . . . . 0.0 111.734 -174.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -86.14 -13.96 45.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.512 178.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 74.8 m -122.7 5.53 9.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.82 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -54.97 -59.39 4.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.161 0.505 . . . . 0.0 110.771 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 68.6 m -63.9 -25.43 68.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.119 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.88 -52.43 29.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.79 0.329 . . . . 0.0 110.229 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.442 HG11 HG23 ' B' ' 78' ' ' VAL . 59.0 t -61.79 -44.41 98.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.024 177.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.19 -52.25 66.09 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.875 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -61.74 -40.0 93.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.832 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.478 HG23 ' HB2' ' B' ' 29' ' ' SER . 60.8 m -64.34 -52.09 60.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.471 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . 0.496 HD11 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -59.64 -47.61 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.783 178.493 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.61 -42.52 84.74 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.447 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.34 -44.99 74.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.645 0.26 . . . . 0.0 111.0 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 93.1 m -60.78 -36.35 78.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.181 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 1.03 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 3.5 mp -57.14 -50.55 72.45 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.031 0.443 . . . . 0.0 110.984 176.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -56.56 -44.69 81.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.288 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -76.01 -37.99 57.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.303 -176.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 59.5 m -59.52 -39.5 84.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.572 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.483 ' HE1' HD11 ' B' ' 8' ' ' ILE . 10.8 mmt -63.52 -43.91 95.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 39.9 ttm -67.89 -30.94 70.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.206 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -80.03 -21.21 43.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.879 0.371 . . . . 0.0 110.969 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.67 -49.31 6.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.261 -178.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.405 HG21 ' HB ' ' B' ' 8' ' ' ILE . 66.5 p -107.37 -53.43 2.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.141 0.496 . . . . 0.0 111.106 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 137.0 -10.73 3.9 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.436 -176.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 48.7 m -137.83 176.61 8.55 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 59.4 t -98.71 112.85 31.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.862 0.363 . . . . 0.0 111.531 -176.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -77.94 115.08 17.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.554 173.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.89 -19.39 25.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.7 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.71 -50.86 65.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.881 0.372 . . . . 0.0 110.717 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -71.1 -47.11 60.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.351 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.557 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 18.8 m -57.38 -41.48 80.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.832 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -70.81 -38.77 73.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.356 . . . . 0.0 110.325 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -56.67 -45.62 81.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.594 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.445 HG21 HD23 ' B' ' 97' ' ' LEU . 60.4 t -62.61 -36.58 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.533 ' HA ' ' HE3' ' B' ' 117' ' ' MET . 26.5 mmt -66.03 -46.33 78.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.067 0.46 . . . . 0.0 109.799 -178.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -64.93 -40.13 94.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.561 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.51 -50.24 73.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.394 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 12.8 p -68.84 -32.97 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.284 -175.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' B' ' 117' ' ' MET . 28.5 mtpp -70.39 -39.46 74.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 110.718 178.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.446 ' HE2' ' HB3' ' B' ' 122' ' ' MET . 11.9 tmm? -70.62 -33.35 70.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.649 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.405 ' O ' HD23 ' B' ' 123' ' ' LEU . 0.9 OUTLIER -76.82 -10.54 59.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.654 0.74 . . . . 0.0 109.623 177.615 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 49.6 m -116.31 27.91 8.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.861 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.26 -172.275 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.544 HG12 ' HE2' ' A' ' 101' ' ' MET . 10.3 pt . . . . . 0 CA--C 1.531 0.247 0 CA-C-O 121.057 0.456 . . . . 0.0 111.481 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -85.93 31.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.366 -177.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.1 p -73.03 -39.12 66.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.387 0.613 . . . . 0.0 109.588 174.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -122.54 137.51 27.91 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.58 174.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.726 ' HG3' ' HG3' ' A' ' 58' ' ' PRO . 31.4 Cg_endo -65.69 -33.38 44.87 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.66 2.24 . . . . 0.0 112.401 -175.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -74.41 -34.42 63.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.576 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.59 -46.33 86.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.226 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.81 -39.33 80.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.781 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.2 ttm -61.0 -29.98 70.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.613 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.0 m -63.14 -40.66 98.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.198 176.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.984 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -63.76 -41.89 97.9 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.234 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.506 ' HA ' ' HE2' ' A' ' 70' ' ' MET . 1.3 m -60.87 -44.46 97.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.859 178.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -68.66 -50.37 51.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.635 -178.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -58.55 -35.53 72.48 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.778 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.492 HD11 HD13 ' A' ' 97' ' ' LEU . 15.1 tp -58.24 -44.85 88.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.433 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.97 -43.3 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.995 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -62.43 -40.81 97.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.265 0.555 . . . . 0.0 110.311 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.534 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -68.51 -35.62 77.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.325 179.62 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.64 -34.62 74.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.255 0.55 . . . . 0.0 110.898 174.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.9 t -70.8 -36.04 72.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.071 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.534 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 16.0 ptm180 -85.08 -1.13 56.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.342 -178.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 p -99.23 -47.0 5.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.023 0.44 . . . . 0.0 109.828 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.78 16.96 71.56 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.143 173.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.492 HG23 ' OG1' ' A' ' 92' ' ' THR . 20.7 t -76.8 -28.0 17.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.397 0.617 . . . . 0.0 110.323 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.435 ' HB3' ' HB2' ' A' ' 36' ' ' GLN . 5.5 mp -90.8 155.99 18.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.078 -174.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.3 p -92.5 178.18 5.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.705 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 -41.83 92.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.077 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.57 ' HB3' HH22 ' B' ' 64' ' ' ARG . 6.3 m-20 -57.32 -51.81 67.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.056 0.455 . . . . 0.0 110.55 177.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.435 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 21.5 mt-30 -65.3 -42.66 92.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.188 -175.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 91.5 mmm -67.45 -37.07 82.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -71.57 -27.14 62.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.21 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.23 -48.87 63.99 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.197 173.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.0 mtp -64.28 -35.28 80.32 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.995 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.19 -42.96 99.73 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.552 175.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.447 ' HE1' ' HB3' ' A' ' 42' ' ' MET . 8.9 tmm? -64.77 -36.41 84.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.607 0.241 . . . . 0.0 110.463 177.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.404 ' O ' HG22 ' A' ' 47' ' ' VAL . 49.8 ttp -55.82 -46.73 78.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.748 177.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.38 93.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.775 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.9 -37.87 87.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.412 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.4 t -56.2 -48.25 76.78 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.512 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.523 ' HA ' ' HE2' ' A' ' 66' ' ' MET . 17.7 t -61.88 -37.81 79.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.097 0.475 . . . . 0.0 110.475 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -70.06 -32.76 71.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.568 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.461 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 67.1 m -59.21 -39.91 84.13 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -170.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.686 ' O ' ' HE1' ' A' ' 54' ' ' MET . 26.6 mt-30 -87.52 -17.22 32.57 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.749 -178.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 87.2 mmm -76.85 -35.48 57.46 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.092 172.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -78.79 -16.85 56.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.88 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 49' ' ' SER . 57.2 mttm -60.09 -37.09 78.91 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.761 0.791 . . . . 0.0 110.001 169.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.686 ' HE1' ' O ' ' A' ' 50' ' ' GLN . 22.5 ptp -116.5 -165.27 1.04 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.153 -168.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -136.19 -95.88 0.46 Allowed Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.867 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -85.6 125.95 2.95 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 123.133 2.555 . . . . 0.0 113.576 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 67.66 97.5 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.431 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.294 172.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.726 ' HG3' ' HG3' ' A' ' 12' ' ' PRO . 93.4 Cg_endo -80.45 160.95 22.55 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.5 2.133 . . . . 0.0 112.426 176.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.437 ' HD2' ' HE3' ' A' ' 54' ' ' MET . 21.8 Cg_endo -63.16 122.64 10.93 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.816 2.344 . . . . 0.0 111.505 174.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -64.34 -35.54 81.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.298 0.571 . . . . 0.0 110.577 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.629 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 21.3 p80 -65.49 -25.54 67.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.373 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.435 ' O ' ' HG3' ' A' ' 66' ' ' MET . 26.5 ttp180 -70.19 -33.62 71.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.45 -46.32 80.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.533 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 18.8 ptt180 -62.84 -35.68 80.75 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.713 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.714 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -74.49 -43.24 56.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.592 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.523 ' HE2' ' HA ' ' A' ' 47' ' ' VAL . 80.3 mtp -76.61 -14.52 59.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.128 -177.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -53.98 -63.37 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.851 175.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.46 HG21 HD12 ' B' ' 123' ' ' LEU . 84.2 m -66.66 -25.42 66.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.139 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -62.06 -49.72 74.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.596 0.236 . . . . 0.0 110.744 177.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.506 ' HE2' ' HA ' ' A' ' 19' ' ' THR . 18.2 ttt -58.61 -46.01 87.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.358 177.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.424 ' HB2' HG13 ' A' ' 116' ' ' VAL . . . -62.82 -43.59 98.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.475 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.501 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -62.86 -41.1 99.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.34 -178.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.558 ' O ' HG22 ' A' ' 77' ' ' VAL . 44.7 mt-10 -62.74 -42.44 99.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.222 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.35 -47.62 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.89 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.45 89.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.702 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.75 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 35.7 tp10 -58.25 -49.48 76.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.308 176.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 73' ' ' GLU . 94.3 t -55.04 -47.82 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.028 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.3 t -67.38 -41.59 86.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.295 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.65 -14.81 61.23 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.454 HG22 ' HD2' ' B' ' 64' ' ' ARG . 3.0 m -106.06 19.22 20.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.343 0.592 . . . . 0.0 110.695 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.6 p -84.87 169.17 17.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.07 139.09 71.14 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.821 1.68 . . . . 0.0 110.51 176.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -55.32 -32.04 79.51 Favored 'Trans proline' 0 CA--C 1.519 -0.266 0 C-N-CA 122.561 2.174 . . . . 0.0 111.793 -174.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -81.87 -4.8 57.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.561 -176.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.6 m -128.42 0.93 5.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.936 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -57.61 -47.28 82.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.851 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.2 t -63.17 -34.74 78.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.711 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.33 -51.3 31.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.727 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.86 -43.31 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.38 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.16 -51.51 69.05 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.085 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -57.53 -40.24 78.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.065 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.492 ' OG1' HG23 ' A' ' 31' ' ' VAL . 44.4 m -65.71 -50.85 63.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.351 -177.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.1 mm -64.94 -46.68 90.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.01 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.31 -43.25 89.65 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.545 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.4 -12.66 58.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.943 0.401 . . . . 0.0 111.088 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.484 ' SG ' HD13 ' A' ' 22' ' ' LEU . 50.7 t -84.5 -36.44 22.22 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.601 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.984 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 7.7 mp -59.54 -39.79 85.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.859 0.361 . . . . 0.0 111.092 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -57.99 -45.44 86.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.477 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -69.83 -50.17 45.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.057 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.1 m -54.39 -40.74 68.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.586 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.544 ' HE2' HG12 ' A' ' 8' ' ' ILE . 13.2 mmt -64.41 -43.25 94.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.921 0.391 . . . . 0.0 111.027 177.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 17.4 ttm -70.32 -26.22 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.422 -177.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -84.89 -31.74 23.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.925 0.393 . . . . 0.0 110.871 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.13 -60.21 2.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.378 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.405 HG21 ' CG2' ' A' ' 8' ' ' ILE . 73.1 p -103.31 -33.62 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.976 0.417 . . . . 0.0 111.316 -175.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 114.64 -10.85 21.38 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -176.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.1 m -132.47 149.12 52.39 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.482 ' HA ' ' HB3' ' A' ' 101' ' ' MET . 4.2 p -96.95 114.7 34.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.277 0.56 . . . . 0.0 110.948 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -78.3 134.56 37.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.965 173.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -97.1 -14.95 21.22 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.369 -177.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.3 -53.34 37.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.76 0.314 . . . . 0.0 110.46 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.403 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 74.1 t80 -68.37 -47.93 66.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.263 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.508 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 17.9 m -56.42 -37.95 70.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.162 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.484 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 63.8 t30 -77.56 -34.06 53.87 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.426 178.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -56.98 -47.85 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.951 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.512 ' HA ' HD11 ' A' ' 119' ' ' LEU . 15.0 m -64.19 -30.54 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.715 0.293 . . . . 0.0 110.978 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.55 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 27.7 mmt -70.81 -40.97 72.19 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -178.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 25.0 mm-40 -68.02 -42.16 81.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.816 177.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.512 HD11 ' HA ' ' A' ' 116' ' ' VAL . 19.2 mt -57.39 -51.65 68.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.336 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.82 -28.65 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.3 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -76.57 -13.94 60.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.064 0.459 . . . . 0.0 110.569 176.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.48 ' HE3' HD22 ' B' ' 119' ' ' LEU . 47.6 ttp -93.59 -44.61 8.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.417 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.49 -33.12 72.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.484 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.8 t . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.057 -175.613 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.494 HG12 ' HE2' ' B' ' 101' ' ' MET . 8.7 pt . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.961 0.41 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -80.07 54.63 1.96 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.233 0.539 . . . . 0.0 111.638 -175.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.6 p -107.36 -17.83 14.03 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.493 0.663 . . . . 0.0 109.863 174.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.442 ' HA ' ' HD3' ' B' ' 12' ' ' PRO . 46.9 m-80 -135.93 132.07 19.22 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.99 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' PRO . . . . . 0.7 ' HG3' HH22 ' B' ' 62' ' ' ARG . 20.3 Cg_exo -61.12 -46.45 15.55 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.78 2.32 . . . . 0.0 112.409 -176.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -68.97 -40.15 79.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.707 -175.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -45.91 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.922 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.33 84.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' MET . . . . . 0.619 ' HE3' ' SD ' ' B' ' 51' ' ' MET . 47.9 ttm -64.17 -25.98 68.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.784 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 46.1 m -65.42 -34.76 79.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.034 0.445 . . . . 0.0 110.197 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 0.99 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -65.77 -43.79 87.76 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 176.666 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.429 HG23 ' HE2' ' B' ' 43' ' ' MET . 0.2 OUTLIER -60.12 -41.49 92.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.727 178.761 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -65.33 -51.74 58.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.529 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.21 -31.28 70.01 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.092 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.585 HD13 HD12 ' B' ' 97' ' ' LEU . 12.1 tp -63.94 -45.95 86.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.969 0.414 . . . . 0.0 110.54 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 66.1 t -64.7 -38.87 83.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.702 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -61.18 -41.31 96.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.796 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -50.21 74.9 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.944 0.402 . . . . 0.0 110.915 174.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.497 ' HB1' HD11 ' B' ' 32' ' ' LEU . . . -62.36 -38.99 91.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.344 -176.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 37.1 t -68.58 -40.6 80.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.032 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -76.25 -29.86 57.67 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.147 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 36.2 p -73.78 -51.91 14.87 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.884 0.373 . . . . 0.0 110.53 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.38 14.21 81.76 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.388 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.0 p -83.22 -12.49 12.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.517 0.675 . . . . 0.0 110.102 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.497 HD11 ' HB1' ' B' ' 26' ' ' ALA . 5.6 mp -97.18 152.21 19.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.492 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 42.9 p -86.18 175.59 8.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.216 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.54 83.56 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.808 0.337 . . . . 0.0 110.391 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.507 ' HB3' HH22 ' A' ' 64' ' ' ARG . 2.3 m-20 -51.44 -61.89 1.96 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.633 0.73 . . . . 0.0 110.222 172.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.461 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 23.3 mt-30 -62.42 -39.67 94.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.753 -172.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 77.7 mmm -65.64 -40.98 93.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.477 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -75.84 -30.37 58.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.443 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.3 -47.13 80.64 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.921 0.391 . . . . 0.0 110.388 174.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.429 ' O ' ' HB3' ' B' ' 43' ' ' MET . 89.4 mtp -67.96 -36.05 79.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 179.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.96 -43.17 97.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.353 175.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.462 ' HE1' ' HB3' ' B' ' 42' ' ' MET . 9.5 tmm? -59.88 -42.89 94.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.742 0.306 . . . . 0.0 110.267 175.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' MET . . . . . 0.438 ' O ' HG23 ' B' ' 47' ' ' VAL . 47.8 ttp -50.69 -47.42 58.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.113 177.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.22 88.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.389 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -70.19 -34.1 72.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.044 0.449 . . . . 0.0 110.715 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -61.85 -48.79 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.223 175.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.504 HG13 ' HE2' ' B' ' 16' ' ' MET . 75.7 t -58.5 -36.4 59.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.584 178.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.471 ' O ' ' HG2' ' B' ' 52' ' ' GLN . 9.1 m-80 -63.19 -40.91 98.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.533 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 72.2 m -59.97 -36.14 76.48 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.869 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -88.09 27.0 1.26 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.59 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.619 ' SD ' ' HE3' ' B' ' 16' ' ' MET . 8.8 ptm -129.42 -32.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 167.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' B' ' 48' ' ' ASN . 3.7 pt20 -79.45 -24.97 42.07 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.005 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -68.48 -19.27 64.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.11 175.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' MET . . . . . 0.487 ' SD ' ' HD2' ' B' ' 59' ' ' PRO . 66.5 mtm -122.65 -176.7 3.45 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.864 -177.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.17 -129.91 3.36 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.129 -1.034 . . . . 0.0 113.323 -175.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -85.15 12.06 3.19 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 123.302 2.668 . . . . 0.0 113.531 -172.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -156.34 80.67 3.74 Favored Pre-proline 0 C--N 1.316 -0.848 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.044 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -90.2 154.45 4.67 Favored 'Trans proline' 0 N--CA 1.449 -1.096 0 C-N-CA 122.926 2.417 . . . . 0.0 112.627 174.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.487 ' HD2' ' SD ' ' B' ' 54' ' ' MET . 28.1 Cg_endo -63.1 138.26 66.28 Favored 'Trans proline' 0 C--O 1.238 0.507 0 C-N-CA 123.408 2.739 . . . . 0.0 112.933 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -76.21 -37.33 57.92 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.704 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.833 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 25.2 p80 -60.73 -31.62 70.92 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 121.436 0.636 . . . . 0.0 109.819 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.7 HH22 ' HG3' ' B' ' 12' ' ' PRO . 2.5 ttp180 -59.95 -37.53 79.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.112 176.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.3 mt -68.58 -39.4 80.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.888 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 0.833 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 32.8 ptt180 -62.93 -33.71 75.92 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.179 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . 0.75 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -80.33 -36.4 34.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.863 0.363 . . . . 0.0 111.231 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.516 ' HG3' ' O ' ' B' ' 62' ' ' ARG . 84.6 mtp -70.04 -22.86 63.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.677 178.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -52.53 -54.75 28.46 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.363 172.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.501 HG22 ' HB1' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -66.71 -34.61 78.22 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.886 -179.4 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -62.35 -53.96 47.34 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.438 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' MET . . . . . 0.411 ' HE3' ' HA ' ' B' ' 19' ' ' THR . 21.6 ttt -59.81 -44.27 94.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.017 0.437 . . . . 0.0 110.512 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.77 -46.15 83.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.498 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.54 -38.43 89.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.406 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.54 ' O ' HG23 ' B' ' 77' ' ' VAL . 42.6 mt-10 -62.44 -46.62 87.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.6 179.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 38.8 t -59.72 -45.42 94.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.831 0.348 . . . . 0.0 110.993 177.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.38 99.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.591 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.714 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 13.0 tp10 -59.58 -39.71 85.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.887 175.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 73' ' ' GLU . 42.9 t -60.09 -48.41 88.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.875 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.455 HG11 HD12 ' B' ' 90' ' ' LEU . 22.5 t -71.94 -33.92 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 -177.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.38 5.89 16.12 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' THR . . . . . 0.413 ' O ' HG21 ' B' ' 80' ' ' THR . 14.9 m -113.44 15.66 19.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.848 0.832 . . . . 0.0 109.779 176.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 87.8 p -92.5 158.53 38.39 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.735 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.23 150.7 87.86 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.23 1.953 . . . . 0.0 111.078 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -55.48 -35.94 93.24 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.615 2.21 . . . . 0.0 111.481 -176.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -74.98 -11.78 60.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.032 -0.986 . . . . 0.0 111.996 -177.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 14.6 m -117.79 -9.89 10.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.7 0.286 . . . . 0.0 110.923 -177.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -54.13 -50.18 67.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.617 -175.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 35.4 t -61.69 -44.35 97.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.817 0.342 . . . . 0.0 110.9 -177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.66 75.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.166 -178.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 73.9 t -64.72 -45.25 95.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.633 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.738 HD13 HG13 ' B' ' 120' ' ' VAL . 13.5 tp -58.3 -49.81 75.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.687 -178.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -60.3 -38.77 84.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.027 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 55.6 m -66.73 -50.75 61.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.776 -177.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' B' ' 93' ' ' ILE . 1.1 mm -62.07 -49.11 85.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.753 178.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.24 -42.51 88.46 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.695 -177.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.44 -38.68 68.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.838 0.351 . . . . 0.0 111.04 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 22.8 m -70.03 -27.89 65.04 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.99 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 4.7 mp -59.36 -37.13 77.1 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.464 176.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . 0.467 ' HA ' HG21 ' B' ' 108' ' ' VAL . 73.1 ttt-85 -63.89 -48.39 76.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.176 176.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -67.35 -49.66 63.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.196 -177.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 66.8 m -54.07 -42.81 69.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.247 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.494 ' HE2' HG12 ' B' ' 8' ' ' ILE . 13.7 mmt -62.77 -45.98 90.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.037 0.446 . . . . 0.0 110.77 177.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 31.6 ttm -70.33 -23.6 62.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.472 -176.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -91.1 -8.93 47.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.939 0.4 . . . . 0.0 110.85 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.37 -55.9 2.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.339 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 70.0 p -105.5 -8.75 17.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.125 0.488 . . . . 0.0 110.892 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.17 5.03 86.09 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.577 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 12.5 p -149.11 144.27 26.54 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.477 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 2.5 p -89.81 114.11 27.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.053 0.454 . . . . 0.0 110.997 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.89 133.08 43.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.765 172.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -92.59 -22.22 19.62 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.798 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.81 -50.29 67.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.698 0.285 . . . . 0.0 110.764 -177.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -71.71 -46.53 58.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.531 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.503 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 13.8 m -59.39 -39.39 83.23 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.823 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -72.27 -39.33 68.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.763 0.316 . . . . 0.0 110.477 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . 0.42 ' OE1' ' HA ' ' B' ' 68' ' ' THR . 34.0 tt0 -54.05 -51.37 64.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.407 -175.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.473 ' HA ' HD11 ' B' ' 119' ' ' LEU . 17.6 m -64.67 -31.33 53.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 111.48 0.178 . . . . 0.0 111.48 -176.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.559 ' HA ' ' HE2' ' B' ' 117' ' ' MET . 28.2 mmt -71.43 -29.24 64.66 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.935 0.398 . . . . 0.0 110.287 -177.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -83.15 -41.07 18.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.838 175.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . 0.48 HD22 ' HE3' ' A' ' 122' ' ' MET . 22.5 mt -55.23 -53.9 50.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.345 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . 0.738 HG13 HD13 ' B' ' 90' ' ' LEU . 12.3 p -63.74 -40.71 90.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.831 -172.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.99 -33.84 70.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.846 0.355 . . . . 0.0 110.608 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' MET . . . . . 0.467 ' HE2' HD22 ' A' ' 119' ' ' LEU . 40.5 ttp -66.02 -37.59 86.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.016 175.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . 0.46 HD12 HG21 ' A' ' 68' ' ' THR . 88.0 mt -82.45 3.16 29.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.763 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 46.3 m -120.94 15.35 11.65 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.171 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 121.405 0.621 . . . . 0.0 111.542 -174.805 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.969 ' HB ' HG23 ' A' ' 105' ' ' THR . 2.6 pp . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.923 0.392 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 67' ' ' ASN . 76.1 m95 -81.32 26.21 0.46 Allowed 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.54 -178.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -82.18 -8.99 59.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.427 0.632 . . . . 0.0 109.757 175.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -134.27 119.6 14.45 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.867 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -68.91 -35.09 16.13 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.863 2.375 . . . . 0.0 112.883 -173.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -79.57 -31.92 41.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.99 0.424 . . . . 0.0 110.375 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.8 81.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.108 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.38 90.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.593 177.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 50.1 ttm -61.16 -32.1 71.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.661 177.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.7 m -64.82 -35.93 82.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.348 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.504 ' HE3' ' HE3' ' A' ' 101' ' ' MET . 0.1 OUTLIER -66.01 -42.03 90.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 177.611 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.456 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 0.5 OUTLIER -62.24 -42.8 99.64 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.499 177.23 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -65.82 -44.01 86.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.286 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -63.59 -36.09 82.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.378 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.617 HD22 HD13 ' A' ' 97' ' ' LEU . 32.6 mt -59.92 -44.56 94.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.726 0.298 . . . . 0.0 111.036 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.5 t -65.55 -36.6 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.96 0.41 . . . . 0.0 110.498 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 43.1 mt-30 -65.21 -52.62 53.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.762 177.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.513 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 31.6 p -66.92 -34.31 77.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.637 0.256 . . . . 0.0 111.081 -176.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.83 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.916 0.388 . . . . 0.0 111.141 177.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.8 t -69.09 -26.0 64.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.18 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.513 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 13.0 ptm85 -96.85 -2.31 44.27 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.613 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.5 p -97.48 -45.81 6.29 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.45 28.69 65.22 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.745 -0.662 . . . . 0.0 112.987 174.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.7 t -87.14 -26.71 5.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.742 0.782 . . . . 0.0 109.323 175.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.486 ' HG ' HG13 ' A' ' 89' ' ' VAL . 5.3 mp -86.62 156.48 20.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.268 -177.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.463 ' H ' ' NE2' ' A' ' 36' ' ' GLN . 49.9 p -91.11 174.46 7.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.646 -178.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.65 91.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.703 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.79 -50.26 72.86 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.401 0.62 . . . . 0.0 109.819 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.463 ' NE2' ' H ' ' A' ' 33' ' ' THR . 48.9 mt-30 -63.79 -44.29 93.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.611 -177.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 82.1 mmm -64.07 -41.66 97.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.589 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.511 ' OD2' ' HD3' ' B' ' 62' ' ' ARG . 35.5 t70 -68.32 -34.4 76.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 110.763 -178.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -64.26 -48.5 75.51 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.025 0.44 . . . . 0.0 110.231 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.491 ' HG3' HG21 ' A' ' 77' ' ' VAL . 89.1 mtp -65.44 -29.77 70.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.667 177.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.06 -48.57 85.41 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.99 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -73.35 -20.13 60.84 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.114 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.461 ' SD ' HG22 ' A' ' 74' ' ' VAL . 47.1 ttp -61.85 -50.72 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.952 0.406 . . . . 0.0 110.132 175.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.51 94.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.425 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.9 -32.15 72.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.504 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.7 t -60.84 -47.47 86.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.453 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.426 HG21 ' O ' ' A' ' 43' ' ' MET . 14.7 t -61.97 -36.06 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.983 0.42 . . . . 0.0 110.192 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.679 ' O ' ' HG3' ' A' ' 51' ' ' MET . 24.6 m-80 -75.64 -41.27 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.08 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 11.4 p -70.32 -49.5 48.8 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.963 -0.46 . . . . 0.0 111.193 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -63.35 -32.25 73.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.306 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.679 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 4.4 ppp? -67.86 -36.63 80.63 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.179 179.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.628 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 44.3 mt-30 -75.04 -23.68 58.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 110.506 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 49' ' ' SER . 13.5 mmmm -68.65 -24.54 64.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.793 174.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 66.1 mtm -108.12 -41.65 4.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.61 -173.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.96 172.8 12.87 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.27 -19.71 56.05 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.486 2.124 . . . . 0.0 112.435 -178.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -132.96 75.42 72.28 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.814 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.82 158.45 46.75 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.733 2.288 . . . . 0.0 112.942 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.724 ' HG2' ' HG2' ' A' ' 62' ' ' ARG . 19.9 Cg_endo -63.9 153.32 76.44 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.848 2.365 . . . . 0.0 111.97 176.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -55.0 -44.57 74.62 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -172.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.459 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 12.9 p80 -66.8 -18.37 65.34 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.871 -173.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.724 ' HG2' ' HG2' ' A' ' 59' ' ' PRO . 34.9 mmt180 -65.98 -47.15 75.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.4 mt -65.76 -31.7 72.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.989 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.709 HH11 ' HG2' ' A' ' 64' ' ' ARG . 26.7 ttp85 -54.08 -52.07 62.12 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.956 175.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.679 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -76.87 -32.43 57.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.631 -178.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 85.3 mmm -60.64 -32.31 71.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.663 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.466 ' HA ' ' CZ2' ' A' ' 9' ' ' TRP . 6.4 t30 -52.49 -55.32 22.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.095 0.474 . . . . 0.0 110.744 176.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.465 HG22 ' HB3' ' B' ' 72' ' ' ALA . 26.4 m -76.1 -28.42 57.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.013 -176.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.557 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.22 -55.43 32.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.825 0.345 . . . . 0.0 110.626 177.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.456 ' HE3' ' HA ' ' A' ' 19' ' ' THR . 19.8 ttt -60.6 -43.03 97.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.609 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.95 95.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.298 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.471 ' HB2' HG21 ' B' ' 68' ' ' THR . . . -65.04 -40.06 94.26 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.278 -178.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 42.6 mt-10 -60.88 -48.15 83.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.98 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.461 HG22 ' SD ' ' A' ' 43' ' ' MET . 53.5 t -61.27 -43.57 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.968 0.413 . . . . 0.0 110.792 177.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.82 -42.41 97.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.501 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.42 -39.63 93.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.005 0.431 . . . . 0.0 110.008 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.491 HG21 ' HG3' ' A' ' 40' ' ' MET . 28.9 t -56.23 -55.19 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.91 176.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.448 ' HB ' HG21 ' A' ' 120' ' ' VAL . 52.5 t -67.27 -38.56 81.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.61 -177.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.81 -26.74 65.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -176.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.4 m -98.08 28.54 3.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.846 0.832 . . . . 0.0 110.964 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 87.4 p -97.2 161.38 26.35 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 170.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.16 135.51 70.34 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 121.633 1.556 . . . . 0.0 110.478 174.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -62.65 -13.53 34.45 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.629 2.22 . . . . 0.0 112.229 -172.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -84.25 -18.23 37.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.856 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 t -119.34 -1.1 10.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.072 0.463 . . . . 0.0 110.254 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -51.93 -56.34 14.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.29 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m -60.54 -27.38 67.6 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.834 -176.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.23 -48.91 25.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.981 0.42 . . . . 0.0 110.459 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.486 HG13 ' HG ' ' A' ' 32' ' ' LEU . 60.7 t -64.16 -42.42 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.055 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 tt -56.02 -52.38 64.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.472 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -58.73 -42.1 87.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.3 m -61.41 -46.25 90.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.612 -177.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.441 HG23 HD12 ' A' ' 97' ' ' LEU . 1.2 mm -68.91 -45.12 81.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.779 177.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.53 -41.89 98.9 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.522 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.03 -39.99 83.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.806 0.336 . . . . 0.0 110.54 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.424 ' SG ' HD23 ' A' ' 22' ' ' LEU . 49.2 t -68.69 -36.58 78.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.122 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.617 HD13 HD22 ' A' ' 22' ' ' LEU . 1.1 mp -50.54 -56.75 10.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.679 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -60.09 -48.08 83.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.095 -175.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.06 -43.14 83.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.019 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.6 m -54.52 -39.58 67.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.336 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.714 ' HG3' ' HB3' ' A' ' 109' ' ' ASP . 20.6 mmt -66.65 -40.54 88.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.76 0.314 . . . . 0.0 110.744 177.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.436 ' HE2' HG21 ' A' ' 108' ' ' VAL . 38.0 tpp -61.35 -32.66 72.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.918 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -84.98 -39.73 17.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.559 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.33 -55.63 11.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.865 -176.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.969 HG23 ' HB ' ' A' ' 8' ' ' ILE . 76.4 p -103.25 -34.07 8.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.978 0.418 . . . . 0.0 111.287 -175.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.1 -2.22 31.43 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.551 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.0 m -133.3 157.65 44.93 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.436 HG21 ' HE2' ' A' ' 102' ' ' MET . 33.6 t -85.64 108.32 17.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.312 0.577 . . . . 0.0 110.4 176.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.714 ' HB3' ' HG3' ' A' ' 101' ' ' MET . 0.1 OUTLIER -67.24 137.95 56.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.025 171.694 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -126.94 19.05 7.15 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -103.41 -54.45 2.59 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.434 ' O ' HG22 ' A' ' 116' ' ' VAL . 65.6 t80 -70.8 -46.87 62.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.943 178.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.501 ' HA ' HD22 ' A' ' 97' ' ' LEU . 30.8 m -60.76 -39.85 90.3 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.186 0.517 . . . . 0.0 110.467 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -66.07 -44.43 84.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.368 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.07 -47.43 85.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.733 -176.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 112' ' ' PHE . 71.5 t -57.38 -41.61 78.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.959 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.564 ' HE3' ' HA ' ' A' ' 117' ' ' MET . 30.3 mmt -63.95 -43.35 96.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.057 -177.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -72.72 -37.97 67.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.795 0.331 . . . . 0.0 110.575 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 24.0 mt -58.06 -52.82 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.133 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.448 HG21 ' HB ' ' A' ' 78' ' ' VAL . 10.8 p -67.51 -31.9 54.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.357 -175.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -70.07 -42.98 72.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.447 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -66.18 -43.16 87.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.951 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 88.8 mt -71.19 -16.37 62.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.726 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 120.99 0.424 . . . . 0.0 110.492 -179.563 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.437 HD13 ' HE3' ' B' ' 101' ' ' MET . 2.5 pp . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.98 0.419 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 53.1 m95 -75.67 12.93 0.9 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.901 -178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.2 m -74.26 -19.75 60.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.721 0.772 . . . . 0.0 108.945 170.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -122.17 115.64 30.17 Favored Pre-proline 0 N--CA 1.452 -0.33 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.464 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' PRO . . . . . 0.447 ' HG3' ' HD2' ' B' ' 58' ' ' PRO . 37.8 Cg_endo -71.55 -30.27 15.2 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.935 2.423 . . . . 0.0 112.52 -176.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -70.16 -40.76 74.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.056 0.455 . . . . 0.0 109.855 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.464 ' HB3' HG21 ' B' ' 105' ' ' THR . . . -63.17 -47.28 83.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.523 178.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.49 98.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.848 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 46.5 ttm -61.54 -35.83 78.84 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.983 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 35.3 m -62.68 -38.96 92.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.157 0.504 . . . . 0.0 109.847 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' MET . . . . . 1.07 ' HE2' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -64.15 -40.27 95.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.845 178.618 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.415 ' HA ' ' HE3' ' B' ' 70' ' ' MET . 1.3 m -60.63 -42.77 97.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.049 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -71.39 -38.48 71.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.097 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.41 -38.84 91.22 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.131 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.412 HD23 ' SG ' ' B' ' 96' ' ' CYS . 48.6 mt -59.81 -40.02 86.97 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.986 0.422 . . . . 0.0 111.475 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 97.0 t -67.39 -37.87 79.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.998 0.428 . . . . 0.0 110.475 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -63.48 -50.88 67.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.269 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . 0.513 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 29.8 p -66.76 -36.57 82.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.718 0.294 . . . . 0.0 110.895 -177.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.28 -44.12 92.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.888 0.375 . . . . 0.0 111.271 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 34.0 t -65.72 -40.66 92.44 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.513 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 4.2 ptm180 -78.3 -21.96 48.9 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.502 -177.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.9 p -78.01 -41.67 35.09 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.26 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.29 19.5 78.27 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.708 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.44 HG13 HG22 ' B' ' 89' ' ' VAL . 19.3 t -81.67 -40.55 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.319 0.58 . . . . 0.0 110.091 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.414 ' N ' HD12 ' B' ' 32' ' ' LEU . 5.5 mp -78.54 158.06 28.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.817 -176.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 28.0 p -92.72 175.49 6.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.972 -177.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.82 96.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.827 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.74 -42.61 84.26 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.484 177.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -69.93 -47.14 63.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.629 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 84.4 mmm -62.55 -40.23 96.15 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 111.173 -179.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -68.79 -31.29 70.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.596 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.601 ' O ' ' HG2' ' B' ' 42' ' ' MET . 0.9 OUTLIER -66.63 -49.74 65.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.012 176.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.533 ' HG3' HG21 ' B' ' 77' ' ' VAL . 91.1 mtp -64.25 -28.47 69.75 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.173 0.511 . . . . 0.0 110.734 177.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.05 -43.14 97.74 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.239 177.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.601 ' HG2' ' O ' ' B' ' 39' ' ' ASP . 18.8 ptt? -71.41 -25.71 62.45 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' MET . . . . . 0.479 ' SD ' HG22 ' B' ' 74' ' ' VAL . 49.4 ttp -57.87 -48.96 78.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.046 0.45 . . . . 0.0 110.302 175.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.04 95.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.772 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.53 -37.97 89.36 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.988 0.423 . . . . 0.0 110.609 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 43.2 t -56.77 -50.45 72.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.76 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.428 HG21 ' O ' ' B' ' 43' ' ' MET . 11.2 t -63.07 -38.61 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.7 -178.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . 0.57 ' O ' ' HG3' ' B' ' 51' ' ' MET . 30.5 m-80 -73.3 -33.37 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 31.1 p -78.11 -45.92 22.12 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.783 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.413 ' HA ' ' HB2' ' B' ' 53' ' ' LYS . 17.7 mt-30 -72.13 -19.56 61.76 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.392 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.57 ' HG3' ' O ' ' B' ' 48' ' ' ASN . 3.1 ppp? -69.13 -34.66 75.39 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -76.24 -27.68 56.85 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.455 0.645 . . . . 0.0 109.639 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.413 ' HB2' ' HA ' ' B' ' 50' ' ' GLN . 38.4 mmtm -71.01 -11.05 60.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.201 174.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 75.7 mtm -115.07 -63.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.593 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.63 -177.04 25.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.177 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.12 -21.83 35.91 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.779 2.32 . . . . 0.0 112.501 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -130.78 72.67 81.75 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.247 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . 0.447 ' HD2' ' HG3' ' B' ' 12' ' ' PRO . 36.0 Cg_exo -62.14 153.94 66.05 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.97 2.447 . . . . 0.0 113.386 -178.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.854 ' HG2' ' HG3' ' B' ' 62' ' ' ARG . 36.1 Cg_endo -67.01 126.79 15.74 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.935 2.423 . . . . 0.0 110.767 175.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . 0.439 ' HG2' HD11 ' B' ' 63' ' ' LEU . 19.7 mt-30 -69.68 -17.57 63.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -171.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.808 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 32.0 p80 -70.14 -34.07 72.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.749 173.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . 0.854 ' HG3' ' HG2' ' B' ' 59' ' ' PRO . 6.3 mmm-85 -72.31 -28.38 63.05 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 174.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.439 HD11 ' HG2' ' B' ' 60' ' ' GLN . 94.2 mt -71.26 -33.75 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.848 176.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 0.808 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 19.9 ptt180 -65.92 -35.74 81.46 Favored 'General case' 0 C--O 1.227 -0.113 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 177.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.11 -35.58 66.59 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.759 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 91.4 mmm -66.98 -31.51 72.12 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 176.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -55.04 -55.74 27.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.404 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' THR . . . . . 0.471 HG21 ' HB2' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -61.6 -37.28 83.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.973 179.437 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -59.97 -58.4 8.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.184 179.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' MET . . . . . 0.415 ' HE3' ' HA ' ' B' ' 19' ' ' THR . 21.8 ttt -57.91 -46.34 85.11 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.929 0.395 . . . . 0.0 110.845 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . 0.41 ' HB3' HG22 ' B' ' 116' ' ' VAL . . . -62.6 -43.96 97.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.226 -178.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . 0.465 ' HB3' HG22 ' A' ' 68' ' ' THR . . . -68.41 -33.45 74.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.386 -178.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 45.0 mt-10 -64.73 -49.0 72.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.517 0.199 . . . . 0.0 110.7 178.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.479 HG22 ' SD ' ' B' ' 43' ' ' MET . 47.7 t -59.02 -46.28 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.061 0.457 . . . . 0.0 110.586 175.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.23 98.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.911 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.679 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 18.1 tp10 -57.66 -49.27 77.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.89 176.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.533 HG21 ' HG3' ' B' ' 40' ' ' MET . 57.7 t -53.73 -55.4 13.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.813 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.428 ' HB ' HG21 ' B' ' 120' ' ' VAL . 54.7 t -63.87 -39.16 84.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.454 -177.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.78 -11.43 60.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -176.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 18.8 m -92.76 -11.63 33.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.009 0.433 . . . . 0.0 110.753 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 93.9 p -66.65 147.01 99.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.37 146.68 24.0 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.626 2.217 . . . . 0.0 111.829 177.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.96 -7.27 12.91 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.677 2.251 . . . . 0.0 112.42 -175.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -91.61 -15.63 28.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.908 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 10.8 p -125.45 0.87 7.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.603 -175.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -54.95 -47.46 74.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.342 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 2.0 p -64.67 -41.26 96.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.474 -177.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.2 86.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.871 0.367 . . . . 0.0 111.216 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' VAL . . . . . 0.44 HG22 HG13 ' B' ' 31' ' ' VAL . 61.4 t -66.3 -45.49 89.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.331 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 tt -59.01 -45.2 91.26 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.832 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -59.25 -45.26 91.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.089 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.1 m -62.48 -51.93 65.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.77 -176.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' B' ' 93' ' ' ILE . 1.3 mm -62.97 -47.56 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.872 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.7 -45.27 90.94 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.861 -177.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.06 -31.37 67.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.886 0.374 . . . . 0.0 110.789 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' CYS . . . . . 0.412 ' SG ' HD23 ' B' ' 22' ' ' LEU . 53.4 t -72.04 -35.17 69.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.918 -179.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 1.07 ' HG ' ' HE2' ' B' ' 18' ' ' MET . 4.2 mp -56.41 -40.99 75.6 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.709 0.29 . . . . 0.0 111.429 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -62.93 -47.22 84.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.164 0.506 . . . . 0.0 109.982 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -67.54 -49.56 62.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.255 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 68.8 m -52.27 -36.56 53.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.14 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.515 ' HE1' ' HB3' ' B' ' 109' ' ' ASP . 14.6 mmt -69.62 -41.62 75.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.712 0.292 . . . . 0.0 110.907 178.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' MET . . . . . 0.471 ' HE1' HG21 ' B' ' 108' ' ' VAL . 49.4 tpp -64.52 -36.36 83.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.072 0.463 . . . . 0.0 110.55 178.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -80.38 -18.04 50.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.127 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.82 -59.58 2.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.351 -177.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' THR . . . . . 0.464 HG21 ' HB3' ' B' ' 14' ' ' ALA . 68.0 p -100.83 -43.27 6.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.015 0.436 . . . . 0.0 111.29 -175.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 117.34 -6.98 16.49 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -173.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.6 m -134.43 134.51 41.68 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' VAL . . . . . 0.471 HG21 ' HE1' ' B' ' 102' ' ' MET . 87.0 t -77.44 107.42 8.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.036 0.446 . . . . 0.0 111.116 -177.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . 0.515 ' HB3' ' HE1' ' B' ' 101' ' ' MET . 11.9 t0 -66.13 107.77 2.04 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.55 174.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -80.55 -26.89 37.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.752 -178.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.29 -45.9 85.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.632 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' PHE . . . . . 0.477 ' O ' HG21 ' B' ' 116' ' ' VAL . 84.5 t80 -69.42 -50.81 42.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.198 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' THR . . . . . 0.513 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 16.7 m -55.54 -43.43 75.78 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.421 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . 0.441 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 45.7 t30 -64.71 -47.04 79.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.741 178.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.07 -43.46 98.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 -175.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' VAL . . . . . 0.477 HG21 ' O ' ' B' ' 112' ' ' PHE . 87.6 t -60.24 -39.62 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.891 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' MET . . . . . 0.546 ' HE1' ' HA ' ' B' ' 117' ' ' MET . 28.9 mmt -66.5 -40.65 89.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.113 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 70.0 mt-30 -64.17 -45.34 88.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.293 177.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 33.3 mt -57.35 -53.1 61.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.367 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' VAL . . . . . 0.428 HG21 ' HB ' ' B' ' 78' ' ' VAL . 14.8 p -66.39 -33.2 61.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.841 0.353 . . . . 0.0 111.817 -174.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -76.52 -36.53 57.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.679 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -68.44 -39.24 81.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.868 0.366 . . . . 0.0 111.042 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.22 -8.98 50.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 6.2 t -128.5 21.75 6.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.505 0.669 . . . . 0.0 109.366 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.829 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.916 -174.194 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.909 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -67.35 103.86 1.38 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.722 0.296 . . . . 0.0 110.423 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.07 -148.19 50.31 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.291 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -97.24 173.54 7.17 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 m -141.26 122.23 14.56 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.036 0.446 . . . . 0.0 110.833 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -81.28 117.63 68.97 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.426 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.98 122.34 11.23 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.78 2.32 . . . . 0.0 111.873 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.68 ' HB ' HG22 ' A' ' 105' ' ' THR . 2.8 pp -73.37 3.39 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.093 -176.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -77.38 18.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.543 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.3 p -70.9 -23.01 62.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.348 0.594 . . . . 0.0 109.725 172.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -125.78 115.87 24.54 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.37 172.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -65.8 -30.46 49.69 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.863 2.375 . . . . 0.0 112.373 -175.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -76.92 -33.4 57.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.753 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.88 -42.52 90.21 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 176.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.41 90.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.735 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.6 ttm -61.63 -27.66 68.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.201 0.524 . . . . 0.0 110.713 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 48.6 m -64.08 -36.39 83.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.197 177.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.793 ' SD ' ' HE2' ' A' ' 101' ' ' MET . 5.6 ttt -66.57 -41.02 89.21 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 176.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -41.24 85.82 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.253 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -69.21 -46.68 66.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.888 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -63.35 -35.51 80.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.421 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.624 HD22 HD13 ' A' ' 97' ' ' LEU . 29.8 mt -60.03 -48.61 81.0 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.603 0.24 . . . . 0.0 110.864 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.23 -41.7 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.681 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -64.48 -44.46 90.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.937 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 27.6 t -65.37 -38.95 91.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.01 0.433 . . . . 0.0 110.579 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.412 ' HB3' HD11 ' A' ' 32' ' ' LEU . . . -69.12 -38.77 79.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.057 0.456 . . . . 0.0 110.783 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.1 t -68.46 -37.6 80.33 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.912 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 25' ' ' CYS . 7.5 ptm180 -80.06 -19.53 47.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.933 -177.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.419 ' HB2' HG23 ' A' ' 31' ' ' VAL . 14.1 p -84.69 -46.28 11.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.966 0.413 . . . . 0.0 109.923 174.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.33 21.63 72.53 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.715 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.419 HG23 ' HB2' ' A' ' 29' ' ' SER . 14.1 t -79.74 -26.94 12.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.337 0.589 . . . . 0.0 110.179 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 26' ' ' ALA . 5.7 mp -90.64 152.68 20.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.794 -175.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.2 p -83.17 169.69 15.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.519 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.72 78.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.718 0.294 . . . . 0.0 111.042 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 1.033 ' HB3' HH22 ' B' ' 64' ' ' ARG . 2.9 m-20 -52.79 -60.72 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.716 175.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.785 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . 8.1 mt-30 -66.61 -36.91 83.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.962 -173.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.5 mmm -63.79 -45.2 90.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.296 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -71.34 -33.18 69.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.805 -176.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.518 ' O ' ' HG3' ' A' ' 42' ' ' MET . 69.0 m-20 -66.08 -40.78 91.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.959 0.409 . . . . 0.0 110.385 176.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.516 ' O ' ' HB3' ' A' ' 43' ' ' MET . 83.3 mtp -66.59 -34.88 78.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.075 0.464 . . . . 0.0 110.339 174.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.94 -44.85 97.25 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.058 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.518 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -74.99 -18.07 60.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.882 0.372 . . . . 0.0 110.241 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.516 ' HB3' ' O ' ' A' ' 40' ' ' MET . 43.1 ttp -63.41 -43.82 96.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.121 0.486 . . . . 0.0 109.729 172.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.48 97.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.3 175.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.78 -44.23 93.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.027 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.0 p -59.81 -48.77 80.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.041 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.8 t -61.28 -43.77 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.166 0.507 . . . . 0.0 110.174 176.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.449 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 23.0 t-20 -57.0 -51.3 69.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.456 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.6 p -77.51 -31.63 53.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.513 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.581 HE22 ' HB3' ' B' ' 46' ' ' SER . 3.9 tp-100 -62.85 -41.14 99.24 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 176.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.429 ' HE2' ' HB3' ' A' ' 51' ' ' MET . 1.4 ttp -59.14 -45.46 90.89 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.553 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 69.6 mt-30 -59.53 -37.59 78.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.088 0.471 . . . . 0.0 110.744 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -68.39 -24.71 64.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.711 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.545 ' CB ' ' HB3' ' A' ' 58' ' ' PRO . 70.9 mtm -105.33 -6.9 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.447 -175.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.62 178.66 35.22 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.561 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.41 -11.17 29.55 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.789 2.326 . . . . 0.0 112.433 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -146.01 78.23 11.6 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.999 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.545 ' HB3' ' CB ' ' A' ' 54' ' ' MET . 35.6 Cg_endo -64.72 167.14 16.07 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.192 2.594 . . . . 0.0 113.356 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.451 ' HG2' ' HD2' ' A' ' 62' ' ' ARG . 52.4 Cg_exo -51.64 131.56 37.83 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.991 2.461 . . . . 0.0 112.087 175.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -59.21 -39.49 82.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.351 -176.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.594 ' HB2' ' NH2' ' A' ' 64' ' ' ARG . 20.9 p80 -68.3 -26.6 65.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 0.0 111.005 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.461 ' O ' ' HG2' ' A' ' 66' ' ' MET . 77.1 mtt180 -73.09 -36.14 66.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.246 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.8 mt -63.33 -37.49 87.46 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 174.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.916 HH22 ' HB3' ' B' ' 35' ' ' ASP . 44.6 ttp180 -55.14 -47.39 75.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.754 174.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.413 ' HB2' ' HE2' ' B' ' 73' ' ' GLU . . . -68.27 -45.62 72.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.173 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.461 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 95.9 mmm -57.02 -30.19 63.99 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.76 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -51.61 -51.99 51.16 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.073 0.463 . . . . 0.0 111.03 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.9 m -75.69 -29.42 59.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.935 -175.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.576 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -61.51 -52.49 64.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.931 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.0 ttt -57.77 -44.69 86.35 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.981 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.26 92.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.185 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.36 95.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.361 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 6.9 mm-40 -62.12 -45.26 94.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.74 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.555 ' O ' HG23 ' A' ' 78' ' ' VAL . 54.5 t -63.87 -42.19 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.696 177.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.24 88.86 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.451 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.468 ' OE1' ' HA ' ' B' ' 65' ' ' ALA . 23.0 tt0 -64.22 -50.11 69.29 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.909 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.785 ' HB ' ' HB3' ' A' ' 36' ' ' GLN . 35.7 m -60.21 -38.72 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.867 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 74' ' ' VAL . 67.9 t -63.81 -40.54 89.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.099 0.476 . . . . 0.0 110.261 177.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.501 ' HB3' ' HB2' ' A' ' 124' ' ' SER . . . -78.89 -3.57 45.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.735 -176.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.414 HG21 ' O ' ' A' ' 80' ' ' THR . 24.2 m -102.19 5.61 40.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.705 0.764 . . . . 0.0 110.201 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.1 m -77.62 159.2 77.4 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.028 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -53.57 160.26 5.51 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.813 2.342 . . . . 0.0 111.339 173.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.58 -22.57 58.19 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.159 1.906 . . . . 0.0 112.17 -170.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -96.58 -23.56 16.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.272 0.558 . . . . 0.0 110.737 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.7 m -92.34 -16.99 25.3 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.884 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -54.57 -49.63 69.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.982 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.7 t -64.18 -34.59 78.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.549 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.83 -53.92 27.72 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.018 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.411 HG13 HG21 ' A' ' 78' ' ' VAL . 85.9 t -63.0 -40.72 90.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.767 -178.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -56.93 -52.16 66.28 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.413 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.84 -38.58 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.933 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 38.1 m -65.65 -51.79 56.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.616 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.452 HG21 HD12 ' A' ' 97' ' ' LEU . 1.1 mm -61.27 -43.31 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.1 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.4 -38.4 93.39 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.241 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.507 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -68.44 -49.2 61.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.725 0.298 . . . . 0.0 110.368 176.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 75.9 m -61.74 -32.63 72.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.495 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.624 HD13 HD22 ' A' ' 22' ' ' LEU . 1.1 mp -54.21 -54.31 41.71 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.938 0.399 . . . . 0.0 111.106 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.3 ttt-85 -59.11 -51.46 69.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.003 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 9.8 mm-40 -60.2 -44.66 94.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.783 -177.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.5 m -55.54 -46.38 77.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.196 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.793 ' HE2' ' SD ' ' A' ' 18' ' ' MET . 16.8 mmt -62.94 -44.75 95.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.1 ttm -65.32 -31.81 73.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.599 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -89.55 -11.98 41.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.824 0.345 . . . . 0.0 111.377 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.5 -58.1 2.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.848 0.356 . . . . 0.0 111.242 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.68 HG22 ' HB ' ' A' ' 8' ' ' ILE . 71.9 p -103.31 -25.58 13.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.28 -175.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 103.32 -7.77 51.78 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.744 -177.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.0 m -134.47 159.18 41.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.8 t -93.33 106.26 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.844 0.354 . . . . 0.0 110.673 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.5 ' HB3' ' HE1' ' A' ' 101' ' ' MET . 9.4 t70 -69.76 112.93 6.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.893 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -77.91 -30.97 50.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.02 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.87 75.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 -175.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.433 ' O ' HG21 ' A' ' 116' ' ' VAL . 50.8 t80 -72.76 -44.46 61.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.449 -178.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.516 ' HA ' HD21 ' A' ' 97' ' ' LEU . 49.3 m -63.9 -36.35 83.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 110.72 -176.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -73.09 -40.08 65.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.5 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -58.08 -45.36 87.3 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.77 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 112' ' ' PHE . 57.3 t -60.6 -38.63 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.411 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.56 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 25.7 mmt -68.93 -39.89 79.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.146 0.498 . . . . 0.0 110.219 -176.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -70.01 -41.56 74.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.367 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.508 HD23 ' HE2' ' B' ' 122' ' ' MET . 20.4 mt -59.12 -50.93 72.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.271 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.7 p -67.17 -36.14 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -172.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -68.0 -40.12 83.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.979 0.418 . . . . 0.0 110.576 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.428 ' HE1' ' HB3' ' A' ' 122' ' ' MET . 11.1 tmm? -74.07 -38.07 64.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.796 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -60.71 -29.31 69.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.756 -175.485 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.501 ' HB2' ' HB3' ' A' ' 79' ' ' ALA . 7.3 t -102.9 4.43 37.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.912 0.387 . . . . 0.0 110.764 -177.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -105.87 85.97 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.256 0.55 . . . . 0.0 111.253 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -97.08 83.74 3.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.313 0.578 . . . . 0.0 110.42 177.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.5 m -155.71 105.47 2.41 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.257 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -99.47 6.73 45.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.321 -175.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -118.46 158.78 24.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.753 0.311 . . . . 0.0 110.468 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -67.23 109.61 3.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.766 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.8 m -85.61 -20.75 7.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.8 m -80.53 157.1 26.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.976 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 120.913 0.387 . . . . 0.0 111.003 178.244 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 111.944 -0.462 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -85.79 100.26 11.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.791 0.329 . . . . 0.0 110.794 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.76 -121.46 5.43 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.211 178.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -126.69 142.4 51.55 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.457 ' O ' ' HD3' ' B' ' 7' ' ' PRO . 19.8 m -80.05 129.96 34.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 176.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -98.96 107.31 43.08 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.929 -176.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . 0.457 ' HD3' ' O ' ' B' ' 5' ' ' SER . 13.3 Cg_exo -69.43 126.95 14.16 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.702 2.268 . . . . 0.0 111.144 177.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.528 HG12 ' HE3' ' B' ' 101' ' ' MET . 17.0 pt -77.16 2.61 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.637 -175.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -75.07 84.15 2.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.793 0.806 . . . . 0.0 111.261 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.2 t -154.67 -36.53 0.09 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.283 -1.326 . . . . 0.0 108.173 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -100.89 114.01 65.78 Favored Pre-proline 0 N--CA 1.452 -0.35 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 169.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . 0.481 ' HB2' ' SD ' ' B' ' 51' ' ' MET . 27.2 Cg_endo -67.88 -32.92 28.01 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.665 2.243 . . . . 0.0 112.384 -173.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -70.31 -41.8 72.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.992 0.425 . . . . 0.0 110.519 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.44 89.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.697 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.47 96.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.71 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.8 ttm -62.36 -28.26 69.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.891 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 32.2 m -61.35 -39.26 89.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.15 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.815 ' SD ' ' HE2' ' B' ' 101' ' ' MET . 6.6 ttt -64.75 -42.44 95.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.976 177.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -59.6 -45.28 92.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.63 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -65.54 -44.9 85.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.833 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -63.62 -32.27 73.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.529 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.29 -47.48 85.77 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 120.65 0.262 . . . . 0.0 110.886 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.51 -39.52 85.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.49 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.535 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 46.0 mt-30 -66.05 -41.0 91.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 30.3 t -64.95 -42.12 94.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.482 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.63 80.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.284 0.564 . . . . 0.0 111.031 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 37.6 t -70.85 -29.54 65.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.185 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 2.2 ptp180 -98.11 6.67 47.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.639 0.257 . . . . 0.0 111.677 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.419 ' HB2' HG23 ' B' ' 31' ' ' VAL . 18.4 p -104.9 -44.38 4.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.975 0.417 . . . . 0.0 110.071 173.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.94 15.42 81.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.854 175.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.419 HG23 ' HB2' ' B' ' 29' ' ' SER . 10.7 t -79.87 -24.45 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.466 0.65 . . . . 0.0 109.774 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.546 HD23 ' HB3' ' B' ' 36' ' ' GLN . 5.3 mp -90.2 166.76 13.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.841 -174.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 23.1 p -108.08 178.08 4.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.95 -41.46 74.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.591 0.234 . . . . 0.0 110.703 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.916 ' HB3' HH22 ' A' ' 64' ' ' ARG . 4.6 m-20 -47.08 -63.37 1.05 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.684 0.754 . . . . 0.0 110.211 172.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.546 ' HB3' HD23 ' B' ' 32' ' ' LEU . 51.2 mt-30 -63.25 -46.44 86.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.277 -1.329 . . . . 0.0 112.05 -173.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 85.0 mmm -65.03 -34.02 77.43 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -176.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.459 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 37.1 t70 -81.1 -35.59 31.44 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.856 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -66.39 -43.92 84.49 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.977 0.418 . . . . 0.0 110.125 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.562 ' HG3' HG23 ' B' ' 77' ' ' VAL . 88.2 mtp -66.76 -32.5 73.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.029 0.442 . . . . 0.0 110.223 174.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.18 -47.14 91.86 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.883 176.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.411 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 18.5 ptt? -74.15 -15.72 61.02 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.459 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' MET . . . . . 0.497 ' O ' HG21 ' B' ' 47' ' ' VAL . 51.3 ttp -64.83 -50.93 64.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.067 0.46 . . . . 0.0 110.056 173.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.74 85.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.352 0.596 . . . . 0.0 110.233 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 30.0 t70 -67.44 -42.84 82.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.659 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.581 ' HB3' HE22 ' A' ' 50' ' ' GLN . 9.0 p -62.57 -46.64 87.4 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.999 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.497 HG21 ' O ' ' B' ' 43' ' ' MET . 43.0 t -55.5 -44.48 76.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.111 0.481 . . . . 0.0 110.281 177.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -66.39 -51.7 54.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.952 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.546 ' O ' ' HG2' ' B' ' 52' ' ' GLN . 28.9 p -70.41 -25.64 63.32 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -76.72 -32.97 58.18 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.1 175.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.481 ' SD ' ' HB2' ' B' ' 12' ' ' PRO . 45.3 mtp -67.73 -42.74 81.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.008 177.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' B' ' 49' ' ' SER . 11.9 pt20 -66.4 -21.53 66.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.745 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' B' ' 49' ' ' SER . 48.8 mtpt -76.58 -24.05 53.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 175.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' MET . . . . . 0.533 ' SD ' ' HD2' ' B' ' 62' ' ' ARG . 74.1 mtm -98.88 -55.13 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.09 -175.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.28 -172.6 23.14 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.091 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -72.93 -9.59 23.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.967 2.445 . . . . 0.0 112.598 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -146.13 87.94 6.48 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.226 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.42 167.78 17.01 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.97 2.447 . . . . 0.0 112.2 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -67.24 129.84 21.31 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.361 2.041 . . . . 0.0 111.2 174.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -61.12 -30.53 70.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.967 -173.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.558 ' O ' ' HB3' ' B' ' 64' ' ' ARG . 35.0 p80 -61.68 -30.69 70.9 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.414 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.548 ' O ' ' HG2' ' B' ' 66' ' ' MET . 71.4 mtt180 -69.85 -40.05 76.02 Favored 'General case' 0 CA--C 1.522 -0.106 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.223 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.65 -35.03 79.69 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 1.033 HH22 ' HB3' ' A' ' 35' ' ' ASP . 54.8 ttp180 -53.44 -50.9 64.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.104 172.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.468 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -68.75 -22.58 64.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.725 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 93.3 mmm -72.51 -29.05 63.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.611 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -50.78 -59.47 4.06 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.547 0.53 . . . . 0.0 111.466 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 25.3 m -73.7 -27.44 61.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.2 -175.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.39 -54.43 45.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.957 0.408 . . . . 0.0 110.563 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.1 ttt -59.61 -44.49 93.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.06 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . 0.444 ' HB3' HG23 ' B' ' 116' ' ' VAL . . . -63.89 -45.69 88.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.304 -177.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.56 83.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.285 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.413 ' HE2' ' HB2' ' A' ' 65' ' ' ALA . 18.7 mm-40 -60.36 -50.08 75.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.242 178.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.432 ' O ' HG21 ' B' ' 78' ' ' VAL . 55.7 t -59.17 -41.64 84.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.937 0.398 . . . . 0.0 110.698 178.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.39 91.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.226 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -61.21 -43.21 99.24 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.562 HG23 ' HG3' ' B' ' 40' ' ' MET . 5.7 t -53.28 -57.76 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.054 177.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.432 HG21 ' O ' ' B' ' 74' ' ' VAL . 66.4 t -61.3 -39.86 84.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.456 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.19 -4.97 36.23 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 25.6 m -88.03 -12.72 43.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.301 0.572 . . . . 0.0 110.672 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 40.4 m -70.28 156.33 92.03 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.139 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . 0.635 ' HD2' ' HB2' ' B' ' 85' ' ' SER . 24.5 Cg_exo -64.49 163.06 28.3 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.672 2.248 . . . . 0.0 109.99 172.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -55.56 -43.28 59.51 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.345 2.03 . . . . 0.0 112.166 -173.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -69.82 -31.63 69.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.474 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.635 ' HB2' ' HD2' ' B' ' 82' ' ' PRO . 19.2 m -87.11 -27.41 23.12 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -53.36 -51.09 63.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.545 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 36.5 t -61.28 -40.77 95.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.873 0.368 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.71 -46.93 70.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.288 -178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.39 -42.68 96.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.979 0.419 . . . . 0.0 110.271 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.82 -51.38 70.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.365 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -55.99 -45.8 78.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.771 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 88.4 m -61.7 -55.77 26.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.848 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . 0.427 HD11 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -60.24 -41.69 87.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.117 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.78 -31.94 65.02 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.245 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.81 -39.73 21.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.735 0.303 . . . . 0.0 110.65 176.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 92.9 m -58.38 -39.21 79.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.213 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.578 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 6.9 mp -59.5 -45.72 90.9 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.732 0.301 . . . . 0.0 110.929 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -58.34 -52.62 64.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.698 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.7 -48.2 81.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.433 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.1 m -55.26 -38.55 68.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.358 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.815 ' HE2' ' SD ' ' B' ' 18' ' ' MET . 11.9 mmt -64.43 -43.76 93.34 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.043 0.449 . . . . 0.0 110.87 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.498 ' HE2' HG22 ' B' ' 108' ' ' VAL . 22.0 ttm -68.78 -29.13 67.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.206 -178.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -84.47 -24.93 29.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.847 0.356 . . . . 0.0 111.051 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.32 -56.62 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.312 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.442 HG22 ' CG2' ' B' ' 8' ' ' ILE . 81.3 p -107.29 -36.5 6.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.154 0.502 . . . . 0.0 111.239 -175.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 118.65 -13.79 11.79 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.528 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 22.0 m -128.84 154.24 46.65 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.498 HG22 ' HE2' ' B' ' 102' ' ' MET . 61.7 t -92.83 117.75 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.016 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -88.38 132.55 34.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.091 172.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -96.2 -19.74 19.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.553 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.72 -50.49 70.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.922 0.391 . . . . 0.0 110.801 -176.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -69.8 -49.1 56.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.286 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.509 ' HA ' HD23 ' B' ' 97' ' ' LEU . 24.4 m -55.18 -43.44 74.34 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.836 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -66.08 -42.4 89.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.691 0.282 . . . . 0.0 110.892 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.08 -45.47 83.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.444 HG23 ' HB3' ' B' ' 71' ' ' ALA . 60.9 t -62.84 -33.59 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.255 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.547 ' HA ' ' HE3' ' B' ' 117' ' ' MET . 26.2 mmt -68.62 -43.4 76.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.316 0.579 . . . . 0.0 109.846 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -67.87 -36.24 79.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.486 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' B' ' 116' ' ' VAL . 31.0 mt -62.12 -54.14 45.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.015 177.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 13.6 p -65.98 -34.75 72.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.653 -173.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . 0.431 ' HE3' ' HB3' ' B' ' 121' ' ' LYS . 28.4 mtpp -66.28 -40.39 90.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.95 0.405 . . . . 0.0 110.367 176.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.508 ' HE2' HD23 ' A' ' 119' ' ' LEU . 41.7 ttp -67.01 -40.22 87.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.006 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.35 -20.07 65.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.286 0.565 . . . . 0.0 111.208 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 33.7 m -105.1 10.7 33.84 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.776 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.6 91.33 3.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.248 0.547 . . . . 0.0 111.218 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -85.29 78.51 9.77 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.516 0.674 . . . . 0.0 109.701 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 36.9 m -150.47 117.05 5.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.33 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -95.83 -0.65 50.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.31 0.576 . . . . 0.0 110.642 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -140.99 147.72 39.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.505 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -64.92 96.2 0.18 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.02 0.438 . . . . 0.0 110.513 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 8.6 m -85.21 67.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.773 0.797 . . . . 0.0 110.539 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 48.3 t -140.88 92.42 2.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.893 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 28.0 m . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.796 -0.621 . . . . 0.0 109.817 179.056 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.008 0 N-CA-C 111.819 -0.512 . . . . 0.0 111.819 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m -90.75 142.16 28.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.639 0.257 . . . . 0.0 110.698 -176.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.38 64.75 4.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.51 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -91.86 -14.02 30.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.071 0.463 . . . . 0.0 110.559 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.2 m -154.34 126.43 7.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.926 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 66.44 163.26 0.13 Allowed Pre-proline 0 CA--C 1.532 0.271 0 O-C-N 123.912 0.758 . . . . 0.0 111.588 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.84 162.71 15.22 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.269 1.979 . . . . 0.0 111.613 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.519 HG12 ' HE3' ' A' ' 101' ' ' MET . 9.2 pt -72.05 -0.92 2.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -175.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -74.76 3.79 7.43 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.248 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.5 m -60.17 -27.57 67.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.342 0.592 . . . . 0.0 109.826 171.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -128.02 115.39 20.41 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 170.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -65.17 -29.84 55.57 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.881 2.388 . . . . 0.0 112.63 -171.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -72.4 -39.13 68.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.781 0.324 . . . . 0.0 110.577 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.87 -42.88 84.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.239 0.542 . . . . 0.0 110.179 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.405 ' HA ' ' CD1' ' A' ' 8' ' ' ILE . . . -64.15 -41.07 97.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.635 176.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.505 ' HE3' HG12 ' A' ' 47' ' ' VAL . 48.3 ttm -62.81 -24.8 67.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.553 177.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.8 m -70.49 -34.35 72.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.089 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.89 ' HE3' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -65.41 -41.4 93.66 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -39.91 95.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.301 175.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -65.57 -48.41 72.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.625 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -62.54 -32.55 73.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.143 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.41 ' CD2' HD12 ' A' ' 97' ' ' LEU . 30.3 mt -61.54 -46.25 90.72 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.64 0.257 . . . . 0.0 110.673 176.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.71 -41.1 91.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.201 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.434 ' HB3' ' NH2' ' A' ' 28' ' ' ARG . 74.8 mt-30 -60.91 -47.95 84.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.021 0.439 . . . . 0.0 110.619 177.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.1 t -62.55 -39.16 92.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.692 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.18 -38.41 78.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.131 0.491 . . . . 0.0 111.206 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.9 t -67.77 -32.84 73.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.605 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.434 ' NH2' ' HB3' ' A' ' 24' ' ' GLN . 5.2 ptp180 -88.04 -20.58 25.58 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.561 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.5 p -80.27 -48.89 12.35 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.29 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.58 9.33 86.19 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.647 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.51 -18.74 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.246 0.546 . . . . 0.0 110.029 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.513 HD21 ' HB3' ' A' ' 36' ' ' GLN . 5.4 mp -84.47 175.05 9.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.319 178.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.8 p -108.67 178.77 4.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.683 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.92 99.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.907 0.384 . . . . 0.0 110.258 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.43 -50.91 68.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.982 174.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.513 ' HB3' HD21 ' A' ' 32' ' ' LEU . 48.1 mt-30 -64.03 -46.25 85.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.001 -177.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 78.6 mmm -66.56 -41.45 88.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.68 -31.93 71.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.101 0.477 . . . . 0.0 110.426 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' OD1' ' HB2' ' B' ' 65' ' ' ALA . 2.7 t70 -70.98 -45.58 63.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.1 178.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 50.0 mmm -58.67 -41.33 85.9 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.349 175.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.38 -40.93 99.46 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.848 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.519 ' HE3' ' HG3' ' B' ' 62' ' ' ARG . 13.6 tmm? -62.39 -39.83 94.5 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.58 0.229 . . . . 0.0 110.567 177.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.409 ' O ' HG21 ' A' ' 47' ' ' VAL . 39.6 ttp -55.19 -51.25 67.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.687 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.7 97.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.92 -45.37 90.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.316 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 24.8 t -58.34 -52.76 64.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.505 HG12 ' HE3' ' A' ' 16' ' ' MET . 53.6 t -56.16 -43.69 76.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-O 120.902 0.382 . . . . 0.0 110.655 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -63.69 -46.86 83.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.368 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 t -62.86 -44.8 95.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.651 -178.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 46' ' ' SER . 51.9 mt-30 -62.02 -38.34 88.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 68.0 mmm -62.44 -44.07 97.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.903 176.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -61.41 -33.08 73.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.793 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -78.23 -21.55 49.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.825 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.595 ' SD ' ' HD3' ' A' ' 62' ' ' ARG . 75.9 mtm -93.04 -43.14 9.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.749 0.309 . . . . 0.0 111.11 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.13 -147.11 18.44 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.591 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.84 132.64 17.32 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.766 2.311 . . . . 0.0 112.386 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 56.71 89.26 0.11 Allowed Pre-proline 0 N--CA 1.467 0.419 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.164 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -75.13 159.81 40.45 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.174 1.916 . . . . 0.0 111.409 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.474 ' HG2' ' CB ' ' A' ' 62' ' ' ARG . 12.7 Cg_endo -58.66 129.06 30.54 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.595 2.197 . . . . 0.0 111.85 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -59.23 -39.76 83.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.317 -175.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -67.41 -22.64 65.53 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.123 0.487 . . . . 0.0 110.356 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.595 ' HD3' ' SD ' ' A' ' 54' ' ' MET . 45.4 ttt180 -80.28 -28.82 38.27 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.18 -39.9 95.98 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.463 HH11 ' HG2' ' A' ' 64' ' ' ARG . 36.9 ttp85 -56.73 -44.02 81.22 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.106 172.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.452 ' HA ' ' OE2' ' B' ' 76' ' ' GLU . . . -65.76 -52.03 54.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.421 -0.808 . . . . 0.0 112.176 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 90.2 mmm -62.11 -31.04 71.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.396 -173.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -57.95 -45.83 86.04 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.214 0.531 . . . . 0.0 110.308 174.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 m -73.12 -39.15 65.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.734 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.82 53.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.192 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.9 ttt -55.64 -41.28 73.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.148 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -47.41 82.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.28 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.68 -29.82 68.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.33 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.615 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 48.6 mt-10 -65.2 -50.71 64.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.747 178.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.56 -41.17 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.21 0.528 . . . . 0.0 110.458 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.0 95.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.509 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.615 ' HG3' ' O ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -71.19 -22.51 62.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.383 -179.055 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 73' ' ' GLU . 54.6 t -65.81 -56.35 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 171.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 90' ' ' LEU . 55.8 t -63.66 -37.44 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.659 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.01 -0.29 15.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.1 m -118.75 21.3 12.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.858 0.837 . . . . 0.0 110.242 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.6 p -86.88 159.5 51.67 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.841 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -53.04 143.22 51.2 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.483 2.122 . . . . 0.0 111.821 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.49 -12.68 36.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.566 2.177 . . . . 0.0 112.16 -173.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -96.67 -2.69 44.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.875 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.1 m -133.91 0.53 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.615 -176.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -53.76 -48.33 69.84 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.036 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 p -62.07 -39.74 93.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.178 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.15 -47.99 72.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.044 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.76 -43.14 97.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.952 0.406 . . . . 0.0 110.188 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.405 ' HA ' HG12 ' A' ' 78' ' ' VAL . 10.3 tt -59.28 -51.35 70.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.412 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -57.6 -40.86 80.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.889 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.8 m -61.47 -57.51 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.46 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -44.03 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.145 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.57 -35.06 71.3 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.564 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.22 -41.65 33.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.699 0.285 . . . . 0.0 110.559 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 79.7 m -58.03 -40.89 82.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.89 ' HG ' ' HE3' ' A' ' 18' ' ' MET . 6.6 mp -56.93 -45.47 82.69 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.584 0.23 . . . . 0.0 111.486 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -64.99 -44.56 88.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.167 -177.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 67.2 mm-40 -65.45 -49.46 69.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.823 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.6 m -54.7 -39.6 68.33 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.609 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.519 ' HE3' HG12 ' A' ' 8' ' ' ILE . 12.8 mmt -60.33 -45.85 91.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.785 0.326 . . . . 0.0 110.601 177.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.478 ' HE3' HG23 ' A' ' 108' ' ' VAL . 28.2 ttm -69.63 -33.39 72.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.324 -178.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 13.0 mm100 -80.79 -16.91 52.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.775 0.322 . . . . 0.0 111.065 -178.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.66 -47.69 5.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.737 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.465 HG22 ' CG2' ' A' ' 8' ' ' ILE . 67.5 p -111.87 -20.92 11.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.908 0.385 . . . . 0.0 111.62 -174.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.22 3.04 70.16 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.1 p -142.67 153.98 43.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -177.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.478 HG23 ' HE3' ' A' ' 102' ' ' MET . 85.1 t -107.89 117.87 54.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.701 -176.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -87.95 125.57 34.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 170.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -96.76 -9.0 29.81 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.854 0.359 . . . . 0.0 110.533 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.3 -51.84 40.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.839 0.352 . . . . 0.0 110.271 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -65.95 -49.92 66.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.998 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.527 ' HA ' HD23 ' A' ' 97' ' ' LEU . 22.2 m -52.31 -46.26 65.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.481 -0.782 . . . . 0.0 112.033 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.464 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 52.4 t30 -67.86 -42.86 80.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.729 0.3 . . . . 0.0 110.625 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -57.07 -46.69 82.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.919 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 78.1 t -61.35 -35.05 63.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.996 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.602 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 13.8 mmt -69.92 -38.43 76.24 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -177.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 68.0 mm-40 -74.89 -34.61 62.21 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.346 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.06 -51.72 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.158 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 12.2 p -65.94 -34.62 71.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.348 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -60.9 -54.45 44.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.098 0.475 . . . . 0.0 110.362 175.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.518 ' HE1' HD21 ' B' ' 119' ' ' LEU . 34.1 ttp -64.97 -42.87 94.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.712 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 49.9 tp -67.33 -30.78 70.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.507 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.1 t -95.14 1.87 54.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.301 0.572 . . . . 0.0 110.581 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -96.16 90.89 5.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.287 0.565 . . . . 0.0 110.71 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -97.73 132.79 43.04 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.991 175.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.0 t -130.84 141.03 50.3 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -119.48 42.53 2.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.873 0.368 . . . . 0.0 111.642 -174.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -79.78 107.78 12.83 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -77.38 109.01 10.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.481 0.658 . . . . 0.0 111.124 -175.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 29.4 m -95.05 -13.49 8.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.862 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.1 t -110.71 -165.6 1.01 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.521 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.507 179.755 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.192 -0.363 . . . . 0.0 112.192 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -71.24 114.29 9.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.875 0.369 . . . . 0.0 110.498 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.07 71.07 2.78 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.455 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -108.29 -60.66 1.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.852 -0.205 . . . . 0.0 110.796 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 54.9 m -145.15 95.11 2.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.703 0.287 . . . . 0.0 110.272 175.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -155.15 142.42 13.78 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.118 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.74 129.25 16.26 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.24 1.96 . . . . 0.0 109.673 168.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.58 ' HB ' HG21 ' B' ' 105' ' ' THR . 1.1 pp -68.94 -14.95 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.93 0.395 . . . . 0.0 111.502 -174.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -81.58 88.1 6.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.439 0.638 . . . . 0.0 110.958 177.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.5 m -149.39 -50.79 0.15 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.537 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -89.64 117.21 67.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 171.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -66.48 -34.74 32.85 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.807 2.338 . . . . 0.0 112.609 -173.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -73.85 -34.89 64.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.835 0.35 . . . . 0.0 110.316 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.04 -48.27 71.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.11 93.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.637 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 50.8 ttm -59.78 -27.16 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.063 178.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.1 m -65.74 -41.08 92.63 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.229 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.458 ' HE3' ' HE2' ' B' ' 101' ' ' MET . 0.2 OUTLIER -62.66 -41.12 98.89 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.294 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.463 ' HA ' ' HE1' ' B' ' 70' ' ' MET . 1.2 m -61.87 -42.68 99.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.811 177.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' B' ' 24' ' ' GLN . 14.7 t-20 -73.17 -40.35 64.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.889 -176.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.18 -36.44 79.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.715 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.716 HD23 HD12 ' B' ' 97' ' ' LEU . 37.5 mt -58.47 -45.76 87.98 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.07 -36.27 77.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.466 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' B' ' 20' ' ' ASN . 69.7 mt-30 -63.78 -44.65 92.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.475 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . 0.422 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 30.9 p -77.98 -37.0 48.33 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.865 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.17 91.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.062 0.458 . . . . 0.0 110.742 176.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -65.19 -27.99 69.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.796 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.422 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 18.5 ptp180 -103.94 -6.26 21.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 31.2 p -86.59 -39.18 16.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.944 0.402 . . . . 0.0 110.098 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.49 17.82 76.57 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.671 176.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 p -88.93 -13.99 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.352 0.596 . . . . 0.0 109.871 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' B' ' 36' ' ' GLN . 5.6 mp -94.96 159.18 15.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.85 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 44.5 p -96.67 -176.8 3.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.95 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.47 97.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.527 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -57.71 -51.27 70.22 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.518 ' HB3' HG11 ' B' ' 77' ' ' VAL . 79.7 mt-30 -60.85 -50.91 71.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.934 -178.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 83.3 mmm -67.07 -35.29 79.5 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -72.86 -31.1 64.5 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.15 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.411 ' O ' ' HG2' ' B' ' 42' ' ' MET . 25.8 t0 -69.49 -50.24 47.17 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 175.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.489 ' HG2' HG23 ' B' ' 77' ' ' VAL . 55.2 mmm -57.17 -43.01 82.21 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.732 176.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.94 -45.37 92.59 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.096 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.542 ' HE2' ' HG3' ' A' ' 62' ' ' ARG . 20.3 ptt? -73.01 -21.98 60.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.648 0.261 . . . . 0.0 110.499 -179.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' MET . . . . . 0.51 ' O ' HG21 ' B' ' 47' ' ' VAL . 46.0 ttp -60.27 -57.68 11.77 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 173.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.2 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.185 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.523 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 20.9 t70 -56.88 -41.66 78.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.282 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.0 t -65.44 -48.18 73.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.283 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.51 HG21 ' O ' ' B' ' 43' ' ' MET . 24.3 t -57.18 -47.64 83.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 120.938 0.399 . . . . 0.0 110.003 178.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' B' ' 52' ' ' GLN . 4.5 m-20 -56.23 -51.19 69.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.609 175.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 22.3 t -59.55 -47.95 83.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.993 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -65.49 -36.75 84.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.987 -176.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.427 ' HE3' ' HG3' ' B' ' 58' ' ' PRO . 62.4 mmm -67.11 -40.81 86.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.919 176.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' B' ' 48' ' ' ASN . 48.8 mt-30 -69.3 -21.42 63.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.98 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -80.02 -34.71 38.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 75.0 mtm -86.05 -50.01 7.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 -177.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.2 -160.39 18.51 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.545 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.43 136.39 28.59 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.789 2.326 . . . . 0.0 112.551 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 63.91 73.21 0.48 Allowed Pre-proline 0 N--CA 1.467 0.401 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.969 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . 0.427 ' HG3' ' HE3' ' B' ' 51' ' ' MET . 66.4 Cg_endo -85.04 172.05 8.86 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.833 2.355 . . . . 0.0 112.301 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.41 114.64 2.03 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.681 2.254 . . . . 0.0 111.691 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -63.56 -36.36 83.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -176.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.564 ' O ' ' HB3' ' B' ' 64' ' ' ARG . 0.2 OUTLIER -71.06 -23.94 62.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.133 0.492 . . . . 0.0 110.146 -178.755 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.527 ' O ' ' HG2' ' B' ' 66' ' ' MET . 26.0 ttm180 -74.22 -33.24 63.31 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.68 -36.29 83.36 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.564 ' HB3' ' O ' ' B' ' 61' ' ' HIS . 20.8 ttp85 -55.82 -46.01 78.19 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.444 173.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.554 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -67.88 -41.26 83.04 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.784 179.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 96.0 mmm -61.77 -27.1 68.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.04 -178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -53.96 -52.04 61.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.433 174.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.529 HG21 ' HB3' ' A' ' 76' ' ' GLU . 15.9 m -67.68 -37.55 82.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.071 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.49 -52.15 66.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 0.0 110.77 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' MET . . . . . 0.463 ' HE1' ' HA ' ' B' ' 19' ' ' THR . 19.8 ttt -60.01 -45.54 92.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.95 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.05 99.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.533 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.82 -37.5 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.468 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.589 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . 16.4 mt-10 -62.52 -44.17 97.03 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.05 178.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.439 ' O ' HG21 ' B' ' 78' ' ' VAL . 71.6 t -60.45 -41.53 87.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.033 0.444 . . . . 0.0 110.483 177.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.23 -48.41 73.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.5 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.589 ' HG2' ' HA ' ' B' ' 73' ' ' GLU . 6.5 pt-20 -63.26 -33.57 75.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.49 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.518 HG11 ' HB3' ' B' ' 36' ' ' GLN . 20.6 t -59.11 -54.28 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.369 174.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.482 ' HB ' HG22 ' B' ' 120' ' ' VAL . 68.7 t -60.87 -42.81 94.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.329 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.44 -25.71 66.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.214 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 23.0 m -87.94 75.5 8.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.522 0.677 . . . . 0.0 110.221 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.484 ' HB3' ' NE2' ' B' ' 36' ' ' GLN . 57.3 p -157.54 163.54 24.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.142 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.31 147.07 95.59 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.083 1.855 . . . . 0.0 110.826 172.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.21 -21.94 67.21 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.177 1.918 . . . . 0.0 111.935 -173.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -81.15 -16.34 53.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.223 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.407 ' O ' HG21 ' B' ' 89' ' ' VAL . 32.1 m -114.36 -21.12 10.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.232 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -49.62 -47.54 49.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.812 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 7.2 t -63.21 -31.96 73.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.669 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.51 -44.36 35.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.569 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.407 HG21 ' O ' ' B' ' 85' ' ' SER . 44.2 t -60.36 -43.7 94.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.167 0.508 . . . . 0.0 109.883 177.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -57.58 -51.64 68.65 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.53 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.53 -37.83 82.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.181 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 58.1 m -63.29 -53.12 57.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.392 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . 0.443 HD11 ' HA ' ' B' ' 93' ' ' ILE . 1.2 mm -62.49 -42.68 96.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.385 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.85 -36.47 87.39 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.386 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.5 -44.92 56.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.932 0.396 . . . . 0.0 110.15 175.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' CYS . . . . . 0.445 ' HB3' HD21 ' B' ' 22' ' ' LEU . 23.1 m -54.99 -41.13 70.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.0 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.716 HD12 HD23 ' B' ' 22' ' ' LEU . 1.9 mp -52.96 -49.1 66.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 111.703 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' B' ' 98' ' ' ARG . 13.3 ttt-85 -60.37 -51.55 69.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.23 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.42 -44.77 86.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.133 -177.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 66.3 m -55.35 -42.7 74.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.214 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.458 ' HE2' ' HE3' ' B' ' 18' ' ' MET . 17.5 mmt -63.58 -43.75 96.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.83 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.486 ' HE3' HG23 ' B' ' 108' ' ' VAL . 26.8 ttm -65.74 -35.81 81.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.354 -179.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -86.31 -4.17 59.12 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.803 0.335 . . . . 0.0 111.459 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.22 -59.92 1.62 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.966 0.412 . . . . 0.0 111.167 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.58 HG21 ' HB ' ' B' ' 8' ' ' ILE . 57.8 p -99.83 -23.23 15.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.145 0.498 . . . . 0.0 111.079 -175.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 100.57 6.84 52.38 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.774 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 38.5 p -152.07 156.63 40.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.486 HG23 ' HE3' ' B' ' 102' ' ' MET . 60.9 t -91.76 114.37 28.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.814 0.34 . . . . 0.0 111.051 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -86.21 137.34 32.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.784 173.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -97.9 -29.22 13.45 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.008 -176.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.75 -50.61 73.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.749 0.309 . . . . 0.0 111.416 -177.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . 0.431 ' O ' HG21 ' B' ' 116' ' ' VAL . 79.4 t80 -69.19 -49.03 60.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.074 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.534 ' HA ' HD21 ' B' ' 97' ' ' LEU . 32.8 m -56.78 -43.16 80.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.181 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . 0.575 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 9.5 t30 -64.87 -48.64 73.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.174 178.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.22 -42.69 95.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.1 -173.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.528 ' HA ' HD13 ' B' ' 119' ' ' LEU . 63.9 t -59.6 -38.4 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.95 0.405 . . . . 0.0 111.162 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.569 ' HA ' ' HE3' ' B' ' 117' ' ' MET . 11.2 mmt -69.04 -39.8 78.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.123 0.487 . . . . 0.0 110.028 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' B' ' 114' ' ' ASN . 51.8 mm-40 -71.15 -35.23 71.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.21 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.528 HD13 ' HA ' ' B' ' 116' ' ' VAL . 13.6 mt -58.32 -49.08 78.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.051 177.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . 0.482 HG22 ' HB ' ' B' ' 78' ' ' VAL . 15.0 p -72.12 -32.42 43.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.908 0.385 . . . . 0.0 111.259 -176.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -65.19 -43.73 90.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.482 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.439 ' HE1' ' HB3' ' B' ' 122' ' ' MET . 12.7 tmm? -69.23 -40.83 77.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.947 -179.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 42.3 tp -66.42 -32.46 73.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.064 0.459 . . . . 0.0 110.791 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 35.7 t -92.1 6.21 47.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.79 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -96.03 100.43 12.1 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.911 0.386 . . . . 0.0 110.877 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -89.51 137.97 31.87 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 121.087 0.47 . . . . 0.0 110.003 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 15.7 t -136.06 123.3 21.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.359 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -104.1 26.48 8.73 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -171.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -61.38 104.84 0.44 Allowed 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 172.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -78.93 97.2 5.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.698 0.761 . . . . 0.0 112.239 -170.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 28.3 m -105.26 10.54 9.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.052 170.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 48.1 t -95.3 119.52 33.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.054 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.489 -0.767 . . . . 0.0 109.458 178.372 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -81.73 -8.78 59.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.656 0.265 . . . . 0.0 111.606 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.64 164.24 34.8 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.182 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -125.15 134.88 52.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.921 0.391 . . . . 0.0 111.006 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 16.4 m -130.43 147.69 52.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.631 175.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 5' ' ' SER . 44.3 mt-30 69.48 141.66 0.08 OUTLIER Pre-proline 0 N--CA 1.466 0.344 0 O-C-N 123.789 0.681 . . . . 0.0 111.912 -176.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.469 ' HA ' ' OD2' ' A' ' 109' ' ' ASP . 17.2 Cg_exo -67.6 146.85 75.06 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.798 2.332 . . . . 0.0 112.424 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.444 HD11 ' HE3' ' A' ' 101' ' ' MET . 2.4 pp -76.33 -6.7 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.378 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -70.15 89.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.685 0.755 . . . . 0.0 111.28 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.2 m -148.08 -44.46 0.16 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.784 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -101.12 120.72 54.37 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.797 173.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -71.81 -36.4 6.29 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.701 2.267 . . . . 0.0 112.606 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -67.94 -34.96 77.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.982 0.42 . . . . 0.0 110.586 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.57 -43.86 79.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.315 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.92 -35.64 80.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.698 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 50.3 ttm -61.2 -28.96 69.52 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.866 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.0 m -64.36 -39.99 94.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.815 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.474 ' HE3' ' HG ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -63.66 -41.22 98.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.574 178.707 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.476 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 1.2 m -62.32 -45.53 92.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.662 178.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -68.8 -41.95 77.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.862 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -63.69 -34.0 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.39 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.677 HD22 HD12 ' A' ' 97' ' ' LEU . 23.8 mt -61.81 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.861 176.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.83 -44.49 99.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.879 0.371 . . . . 0.0 110.531 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 48.3 mt-30 -61.17 -43.41 98.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.105 0.478 . . . . 0.0 110.134 177.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.5 t -66.48 -38.4 87.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.258 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.8 -36.12 72.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.098 0.475 . . . . 0.0 110.62 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.8 t -66.57 -43.74 84.16 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.171 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.3 ptm180 -69.15 -39.15 78.99 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.236 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.514 ' HB2' HG22 ' A' ' 31' ' ' VAL . 28.0 p -67.71 -45.18 75.85 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.64 0.257 . . . . 0.0 110.58 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.84 6.56 85.55 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.799 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.514 HG22 ' HB2' ' A' ' 29' ' ' SER . 12.2 t -66.84 -29.23 45.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.478 0.656 . . . . 0.0 110.078 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.473 ' HB3' ' HB2' ' A' ' 36' ' ' GLN . 5.6 mp -90.78 149.36 22.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.141 -174.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.3 p -84.18 177.77 8.08 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.189 -177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.25 -30.96 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.483 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.17 -50.91 66.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.448 0.642 . . . . 0.0 109.433 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.633 ' HB3' HG11 ' A' ' 77' ' ' VAL . 49.0 mt-30 -65.09 -47.82 75.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.266 -178.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.08 -43.35 98.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.498 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.18 -37.13 86.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.439 . . . . 0.0 110.735 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.46 ' HB3' HG21 ' A' ' 77' ' ' VAL . 1.2 t70 -68.72 -44.53 73.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.336 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.422 ' O ' ' HB3' ' A' ' 43' ' ' MET . 93.7 mtp -61.82 -30.41 70.81 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.107 0.48 . . . . 0.0 110.378 176.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.85 -48.32 84.61 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.097 175.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.46 ' SD ' ' HD3' ' B' ' 62' ' ' ARG . 12.6 ptt? -73.37 -20.44 60.76 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.308 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.556 ' O ' HG22 ' A' ' 47' ' ' VAL . 48.7 ttp -59.99 -53.49 57.24 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -38.57 84.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.247 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.95 -45.93 91.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.251 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.0 p -62.32 -35.08 77.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.972 0.415 . . . . 0.0 111.192 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 43' ' ' MET . 28.3 t -65.72 -38.33 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.134 177.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -79.52 -40.18 30.24 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.089 -177.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.423 ' HB3' ' HE3' ' B' ' 53' ' ' LYS . 7.8 p -65.51 -28.0 68.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.513 ' HB3' ' HE2' ' A' ' 54' ' ' MET . 90.1 mt-30 -74.83 -29.45 61.07 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.255 173.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 93.1 mmm -70.31 -36.38 74.26 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.82 -178.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -72.07 -25.78 61.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.0 110.463 177.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -71.99 -53.31 13.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.096 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.513 ' HE2' ' HB3' ' A' ' 50' ' ' GLN . 55.9 mtm -89.93 -40.02 12.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.016 -171.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.2 -174.77 15.52 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -174.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.98 -1.81 11.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.814 2.342 . . . . 0.0 112.56 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -128.3 78.84 75.01 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.674 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.0 164.9 34.13 Favored 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 122.966 2.444 . . . . 0.0 112.114 171.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.526 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 36.5 Cg_endo -67.53 152.8 77.94 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.497 2.131 . . . . 0.0 111.744 175.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -58.12 -38.77 77.15 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.799 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.685 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 28.7 p80 -64.71 -25.1 67.79 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.781 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.526 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 2.9 tmt_? -69.91 -29.38 66.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.9 -50.45 49.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.218 176.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.685 ' HG2' ' HA ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -65.66 -30.25 70.92 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.238 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.65 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -69.22 -52.64 25.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.318 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.426 ' HA ' ' HB2' ' A' ' 69' ' ' ALA . 98.0 mmm -64.98 -24.02 67.39 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.123 -176.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -55.04 -37.71 67.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.232 0.539 . . . . 0.0 109.97 172.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.497 HG23 ' HB2' ' B' ' 72' ' ' ALA . 8.0 m -89.84 -41.81 11.61 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.887 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 66' ' ' MET . . . -57.61 -55.16 38.47 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -178.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.476 ' HE3' ' HA ' ' A' ' 19' ' ' THR . 19.5 ttt -60.82 -41.32 95.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.998 0.427 . . . . 0.0 110.665 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.432 ' HB2' HG23 ' A' ' 116' ' ' VAL . . . -66.82 -43.65 83.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.26 -178.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.487 ' HB2' HG23 ' B' ' 68' ' ' THR . . . -64.88 -35.86 82.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 77' ' ' VAL . 27.8 mm-40 -61.46 -50.88 70.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.717 175.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.446 ' O ' HG21 ' A' ' 78' ' ' VAL . 79.7 t -57.62 -43.02 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.348 . . . . 0.0 110.473 176.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.58 93.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.471 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 7.2 tp10 -59.49 -46.59 88.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.194 0.521 . . . . 0.0 110.061 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.633 HG11 ' HB3' ' A' ' 36' ' ' GLN . 54.5 t -56.48 -48.98 79.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.276 178.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 74' ' ' VAL . 91.1 t -65.38 -44.97 94.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.239 -178.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.76 -28.75 68.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.706 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 35.2 m -84.77 76.39 10.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.527 0.679 . . . . 0.0 110.633 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.8 p -160.8 170.45 8.46 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.029 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -58.36 138.62 86.82 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 121.863 1.708 . . . . 0.0 110.234 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.56 -16.32 54.58 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.112 1.875 . . . . 0.0 112.136 -172.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -88.56 -25.73 22.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.301 0.572 . . . . 0.0 110.63 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.408 ' O ' HG22 ' A' ' 89' ' ' VAL . 69.4 m -94.6 -15.18 24.28 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.332 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -51.81 -45.28 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.849 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -61.83 -42.34 98.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.259 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.04 77.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.022 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 85' ' ' SER . 59.1 t -63.42 -46.32 95.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.327 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.77 -49.83 75.29 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.186 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -56.49 -44.15 80.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.065 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.3 m -63.97 -52.78 58.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.879 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.424 ' O ' HD11 ' A' ' 97' ' ' LEU . 1.3 mm -63.99 -47.51 90.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.774 178.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.58 -43.53 97.56 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.952 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.59 -35.78 70.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.837 0.351 . . . . 0.0 110.965 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.3 t -81.91 -20.19 39.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.555 -175.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.677 HD12 HD22 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -55.17 -44.26 75.04 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.425 0.631 . . . . 0.0 109.851 173.324 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.489 ' HG3' HG21 ' A' ' 108' ' ' VAL . 71.1 ttt-85 -61.77 -49.27 77.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.721 178.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 14.4 mm-40 -63.36 -49.17 74.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.715 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.2 m -55.03 -45.32 75.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.701 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.444 ' HE3' HD11 ' A' ' 8' ' ' ILE . 11.8 mmt -60.63 -41.08 94.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.836 0.351 . . . . 0.0 110.859 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 31.3 ttm -70.15 -29.98 67.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.954 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 77.8 mm-40 -80.82 -28.53 36.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.017 0.436 . . . . 0.0 110.521 178.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.59 -50.32 10.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.802 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 44.0 p -109.29 -32.52 7.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 111.603 -175.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.51 -14.93 7.66 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.009 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.3 p -148.5 168.08 23.65 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.489 HG21 ' HG3' ' A' ' 98' ' ' ARG . 3.4 p -94.56 122.05 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.505 0.669 . . . . 0.0 112.122 -173.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.469 ' OD2' ' HA ' ' A' ' 7' ' ' PRO . 8.4 t70 -80.8 127.97 33.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.706 174.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -108.32 15.64 23.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.147 0.499 . . . . 0.0 110.756 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -96.5 -48.98 5.33 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.538 ' O ' HG22 ' A' ' 116' ' ' VAL . 88.3 t80 -70.53 -52.16 23.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.186 177.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.539 HG22 ' HB3' ' A' ' 97' ' ' LEU . 42.6 m -54.61 -42.65 71.4 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.304 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -69.33 -40.37 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.553 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -63.31 -42.44 99.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.813 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 112' ' ' PHE . 57.5 t -56.84 -38.14 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.278 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.575 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 25.1 mmt -69.56 -36.07 75.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.239 -175.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -76.18 -40.07 53.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.677 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.52 HD23 ' HE3' ' B' ' 122' ' ' MET . 14.7 mt -55.9 -45.24 78.71 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.002 178.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.0 p -74.22 -36.18 42.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.169 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.04 -44.02 98.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.983 0.421 . . . . 0.0 110.592 177.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.477 ' HE1' HD22 ' B' ' 119' ' ' LEU . 38.5 ttp -68.41 -36.71 79.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 36.7 tp -75.33 -22.0 57.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.001 0.429 . . . . 0.0 110.785 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.3 t -89.62 0.88 56.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -120.59 101.91 8.07 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.56 98.32 0.86 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.2 p -132.54 173.92 10.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.624 -171.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 68.95 19.47 8.19 Favored 'General case' 0 C--O 1.232 0.155 0 O-C-N 124.053 0.845 . . . . 0.0 111.348 -177.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -70.74 112.83 7.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.875 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.77 120.53 20.44 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.7 0.762 . . . . 0.0 110.725 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.5 t -87.25 -21.54 7.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 114.304 -1.316 . . . . 0.0 110.565 -174.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.1 m -132.74 140.79 48.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.947 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.779 179.891 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.343 -0.303 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.6 m -90.36 -3.06 57.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.873 0.368 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 97.94 -168.21 23.39 Favored Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 -177.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -175.0 131.23 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.362 0.601 . . . . 0.0 111.436 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 27.6 m -154.68 83.59 1.1 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.976 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -155.46 136.86 9.37 Favored Pre-proline 0 C--N 1.311 -1.073 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.087 -169.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . 0.43 ' C ' ' H ' ' B' ' 9' ' ' TRP . 21.7 Cg_endo -63.79 106.99 0.68 Allowed 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.116 1.877 . . . . 0.0 111.485 175.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.408 HD13 ' HE2' ' B' ' 101' ' ' MET . 2.6 pp -76.66 22.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.808 -177.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . 0.499 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 79.5 m95 -90.24 17.41 7.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.48 -175.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.9 p -69.72 -31.59 69.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.378 0.609 . . . . 0.0 109.614 174.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -120.99 100.97 45.5 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.388 173.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.08 -32.85 63.6 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.351 2.701 . . . . 0.0 113.661 -168.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -71.52 -25.45 62.25 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.282 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.71 -35.09 45.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.429 . . . . 0.0 109.891 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.38 -36.71 83.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.868 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -62.26 -31.24 71.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.231 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 23.1 m -64.32 -36.46 84.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.203 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 1.02 ' HE2' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.9 -44.22 93.61 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.393 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.43 ' HA ' ' HE1' ' B' ' 70' ' ' MET . 1.2 m -61.51 -43.47 98.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.714 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -65.9 -52.46 49.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.801 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -64.04 -27.78 69.34 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.41 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.54 HD12 HD11 ' B' ' 97' ' ' LEU . 13.5 tp -65.34 -34.24 77.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.228 0.537 . . . . 0.0 110.504 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' B' ' 40' ' ' MET . 58.7 t -76.72 -35.11 24.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.239 178.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -67.15 -40.8 86.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.964 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . 0.481 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 28.7 p -70.84 -30.05 66.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.042 0.449 . . . . 0.0 110.512 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.89 -37.44 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.28 0.562 . . . . 0.0 110.615 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 22.6 t -71.95 -34.55 69.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.732 -178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.481 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 3.1 ptm180 -74.5 -33.83 62.92 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.774 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.491 ' HB2' HG21 ' B' ' 31' ' ' VAL . 14.2 p -72.16 -50.89 24.2 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.972 0.415 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.13 16.64 76.15 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.626 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.491 HG21 ' HB2' ' B' ' 29' ' ' SER . 14.4 t -72.9 -30.17 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.498 0.666 . . . . 0.0 109.887 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.471 ' N ' HD12 ' B' ' 32' ' ' LEU . 4.6 mp -88.09 158.52 18.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.499 -176.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 44.0 p -87.65 173.07 9.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.144 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.64 -38.55 91.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.802 0.334 . . . . 0.0 111.056 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -58.99 -45.37 90.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.12 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.64 ' HB3' HG11 ' B' ' 77' ' ' VAL . 24.6 mt-30 -68.56 -44.98 73.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.878 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 78.5 mmm -61.12 -41.99 97.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.226 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -65.54 -34.15 77.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.621 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' B' ' 42' ' ' MET . 4.0 t70 -62.99 -45.9 90.24 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.231 0.539 . . . . 0.0 110.36 177.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.508 ' HB3' HG21 ' B' ' 23' ' ' VAL . 86.3 mtp -63.59 -34.46 77.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.536 177.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.69 -45.17 93.6 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.156 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.456 ' HG2' ' O ' ' B' ' 39' ' ' ASP . 22.0 ptt? -70.84 -23.61 62.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.826 0.346 . . . . 0.0 110.179 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' MET . . . . . 0.469 ' HB3' ' O ' ' B' ' 40' ' ' MET . 52.5 ttp -60.34 -49.95 75.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.092 174.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.19 95.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -65.85 -42.05 90.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.711 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.5 p -60.01 -47.59 85.22 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.249 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.41 HG22 ' O ' ' B' ' 43' ' ' MET . 21.3 t -57.77 -44.26 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.406 0.622 . . . . 0.0 109.869 176.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.29 -45.6 90.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.782 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.502 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 24.0 m -68.87 -46.36 68.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.374 -177.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -59.78 -37.37 78.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.05 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 79.6 mmm -56.34 -48.47 76.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.501 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -70.64 -24.57 62.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.448 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.637 ' HZ1' ' HB3' ' B' ' 53' ' ' LYS . 3.0 mmmp? -67.53 -37.17 82.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.117 0.484 . . . . 0.0 110.297 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.4 mtm -94.92 -54.17 3.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.772 -173.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.04 -171.79 27.66 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.457 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.5 -40.13 50.05 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.984 2.456 . . . . 0.0 112.65 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -132.04 90.82 34.2 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.937 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . 0.516 ' HG2' HD21 ' B' ' 63' ' ' LEU . 73.7 Cg_endo -75.78 163.44 33.63 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.732 2.288 . . . . 0.0 111.953 175.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.474 ' HG2' ' HD2' ' B' ' 62' ' ' ARG . 10.4 Cg_endo -55.66 122.49 11.84 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.753 2.302 . . . . 0.0 111.781 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.529 ' HA ' HD22 ' B' ' 63' ' ' LEU . 15.3 mm100 -58.15 -26.44 62.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.57 -172.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.49 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 3.8 p80 -65.08 -28.27 69.35 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.323 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.524 ' O ' ' HG2' ' B' ' 66' ' ' MET . 90.9 mtt180 -72.37 -27.09 62.16 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.529 HD22 ' HA ' ' B' ' 60' ' ' GLN . 3.8 mm? -70.93 -40.64 71.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.708 177.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 34.7 ptt180 -67.12 -28.33 68.06 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.129 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.471 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -72.96 -42.92 62.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.687 173.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.524 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 92.0 mmm -56.14 -30.67 62.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 177.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . 0.438 ' HA ' ' CZ2' ' B' ' 9' ' ' TRP . 7.6 t30 -53.76 -45.38 70.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.43 174.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.487 HG23 ' HB2' ' A' ' 72' ' ' ALA . 24.5 m -73.69 -39.61 64.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.847 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.72 -52.9 63.13 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.34 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' MET . . . . . 0.43 ' HE1' ' HA ' ' B' ' 19' ' ' THR . 20.7 ttt -59.22 -44.86 92.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.742 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . 0.449 ' HB2' HG22 ' B' ' 116' ' ' VAL . . . -63.03 -42.8 99.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.384 -178.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.497 ' HB2' HG23 ' A' ' 68' ' ' THR . . . -67.44 -37.56 83.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.332 -178.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.471 ' O ' HG21 ' B' ' 77' ' ' VAL . 28.2 mm-40 -59.63 -49.73 76.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.76 176.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.491 ' O ' HG23 ' B' ' 78' ' ' VAL . 78.8 t -58.61 -44.36 89.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.679 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.79 -42.58 93.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.65 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 13.7 tp10 -61.72 -47.97 82.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.093 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.64 HG11 ' HB3' ' B' ' 36' ' ' GLN . 69.9 t -54.58 -47.08 72.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 178.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 74' ' ' VAL . 59.5 t -66.13 -45.49 90.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.694 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.5 -7.04 44.97 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 55.1 m -78.38 -30.35 47.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 110.942 178.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 73.3 p -71.63 152.97 93.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.056 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -64.36 160.61 38.23 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.474 2.116 . . . . 0.0 110.974 175.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -53.48 -34.29 71.38 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.569 2.18 . . . . 0.0 111.856 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -62.55 -32.03 72.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.553 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 23.9 m -105.9 -26.38 11.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.994 -175.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -49.95 -48.95 51.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.13 -176.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -63.48 -44.93 92.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.823 0.344 . . . . 0.0 110.95 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.06 -42.93 83.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.072 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 74.1 t -63.06 -46.42 96.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.183 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -56.85 -48.47 78.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.202 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -59.58 -42.41 92.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.971 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -65.39 -48.9 71.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.616 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.2 mm -64.81 -48.98 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.767 177.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.27 -43.63 84.32 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.83 -177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.41 ' O ' ' HG2' ' B' ' 99' ' ' GLU . . . -70.65 -38.67 73.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.882 0.372 . . . . 0.0 110.699 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' CYS . . . . . 0.472 ' SG ' HD11 ' B' ' 22' ' ' LEU . 46.6 t -66.3 -32.55 74.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.863 -176.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 1.02 ' HG ' ' HE2' ' B' ' 18' ' ' MET . 6.2 mp -58.46 -39.61 80.38 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.024 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.485 ' HG3' HG23 ' B' ' 108' ' ' VAL . 69.0 ttt-85 -61.95 -48.33 80.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.246 176.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' B' ' 103' ' ' GLN . 4.3 mm-40 -64.24 -50.37 68.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.679 -177.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 72.5 m -57.63 -40.33 78.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.308 -175.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.41 ' HE1' ' HG3' ' B' ' 18' ' ' MET . 16.1 mmt -63.73 -39.85 95.32 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.528 178.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 25.7 ttm -70.74 -25.38 62.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.655 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . 0.597 ' HG2' ' O ' ' B' ' 99' ' ' GLU . 73.6 mm-40 -85.71 -23.25 27.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.881 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.4 -54.56 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.772 -175.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 77.3 p -100.11 -26.05 14.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.148 0.499 . . . . 0.0 110.651 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 101.7 5.19 51.51 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -174.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 25.7 p -150.53 144.65 25.46 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.485 HG23 ' HG3' ' B' ' 98' ' ' ARG . 5.1 p -90.7 129.21 41.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.065 0.46 . . . . 0.0 110.707 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -98.71 140.5 32.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.01 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -95.62 -20.24 19.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.753 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.16 71.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.599 0.238 . . . . 0.0 111.124 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -70.42 -49.12 52.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.338 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.514 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 11.3 m -54.58 -45.15 73.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.987 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -67.04 -40.34 87.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.78 0.324 . . . . 0.0 110.775 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -56.54 -48.6 76.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.163 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.467 HG23 HD21 ' B' ' 97' ' ' LEU . 61.4 t -60.85 -35.07 62.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.568 ' HE1' ' HA ' ' B' ' 117' ' ' MET . 29.8 mmt -68.55 -40.92 80.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.366 -178.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -68.65 -41.86 78.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.077 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.477 HD22 ' HE1' ' A' ' 122' ' ' MET . 17.8 mt -56.22 -53.23 59.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.564 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.57 -34.78 71.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.617 -172.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -66.95 -34.7 78.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.101 0.477 . . . . 0.0 110.487 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.52 ' HE3' HD23 ' A' ' 119' ' ' LEU . 39.7 ttp -79.0 -35.96 41.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.473 -177.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.418 HD22 HG21 ' A' ' 68' ' ' THR . 5.5 mp -60.93 -34.69 75.11 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.904 0.383 . . . . 0.0 111.974 -176.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 62.6 m -95.75 10.36 37.25 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.228 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -101.89 97.87 8.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 0.0 111.057 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -69.25 104.79 2.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.569 176.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 6.3 p -149.05 168.65 22.59 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.41 -173.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . 63.36 24.53 14.24 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.812 0.695 . . . . 0.0 111.511 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -69.54 104.68 2.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.371 -175.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -78.49 99.85 6.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 173.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 35.4 m -107.41 -10.45 10.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 23.5 m -78.39 79.57 4.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.057 0.456 . . . . 0.0 111.303 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.246 0.902 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.423 178.241 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 t -149.05 152.12 35.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.643 0.259 . . . . 0.0 110.393 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.34 3.72 66.48 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.862 176.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -106.01 173.97 6.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.644 0.259 . . . . 0.0 110.383 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 t -85.85 162.8 18.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.845 0.355 . . . . 0.0 110.651 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.447 HE21 ' HB2' ' A' ' 6' ' ' GLN . 1.3 mp0 -86.48 148.39 46.57 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.753 177.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -61.35 162.62 19.78 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.57 2.18 . . . . 0.0 112.055 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.522 HG12 ' HE1' ' A' ' 101' ' ' MET . 9.5 pt -80.68 9.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.895 -175.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.418 ' CE2' ' HA ' ' A' ' 67' ' ' ASN . 80.4 m95 -81.03 21.17 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.573 -177.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.2 p -78.83 -16.28 57.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.406 0.622 . . . . 0.0 109.565 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.472 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 42.7 m-80 -132.67 116.17 14.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.445 176.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -59.71 -41.07 58.69 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.85 2.367 . . . . 0.0 112.587 -176.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -77.22 -32.3 55.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.375 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 11' ' ' ASN . . . -67.23 -43.38 82.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.135 176.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.78 -41.25 92.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.363 176.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.0 ttm -57.59 -33.77 68.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.781 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.0 m -62.15 -39.88 94.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.272 177.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.912 ' HE2' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -63.94 -41.71 97.53 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.152 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.437 ' HA ' ' HE1' ' A' ' 70' ' ' MET . 1.0 OUTLIER -60.33 -47.75 84.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.689 178.003 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 94.3 m-20 -62.02 -46.32 89.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.794 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.53 -32.72 71.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.145 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.404 ' CD2' HD12 ' A' ' 97' ' ' LEU . 29.5 mt -63.46 -45.79 89.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.623 0.249 . . . . 0.0 110.746 175.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.34 -40.86 89.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.183 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 75.8 mt-30 -59.82 -51.57 69.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.469 176.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.0 t -62.15 -37.34 84.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.039 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.48 ' HB2' HD11 ' A' ' 32' ' ' LEU . . . -71.9 -40.62 68.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.019 0.438 . . . . 0.0 111.3 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.0 t -67.71 -33.97 75.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.288 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 14.8 ptm180 -77.27 -36.93 53.92 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.059 178.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 p -68.66 -47.29 66.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.792 0.329 . . . . 0.0 110.693 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.96 23.61 77.75 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.345 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.9 p -86.59 -17.31 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.196 0.522 . . . . 0.0 110.102 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 26' ' ' ALA . 5.3 mp -90.87 153.85 19.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.941 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.0 p -83.59 176.39 9.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.045 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.94 -37.46 87.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.87 0.367 . . . . 0.0 110.8 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.26 -61.41 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.388 0.613 . . . . 0.0 109.808 175.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.621 ' HB3' HG11 ' A' ' 77' ' ' VAL . 44.5 mt-30 -57.42 -46.28 83.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.842 -175.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 73.1 mmm -62.72 -38.15 89.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.139 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -78.28 -32.51 49.53 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.569 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.481 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 66.7 m-20 -69.62 -34.39 74.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.99 0.424 . . . . 0.0 109.965 175.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.427 ' O ' ' HB3' ' A' ' 43' ' ' MET . 46.6 mmm -60.56 -39.18 87.03 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.502 0.668 . . . . 0.0 109.856 171.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.52 -45.02 95.75 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.467 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.587 ' SD ' ' HG3' ' B' ' 62' ' ' ARG . 12.2 ptt? -71.15 -22.67 62.02 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 122.614 -0.345 . . . . 0.0 110.626 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.427 ' HB3' ' O ' ' A' ' 40' ' ' MET . 41.9 ttp -60.67 -53.9 51.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 174.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.75 -40.34 96.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.374 176.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.513 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 28.1 t70 -60.45 -41.39 94.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.413 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.2 t -60.18 -50.78 72.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.168 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.427 ' O ' ' HG2' ' A' ' 51' ' ' MET . 44.2 t -57.41 -42.54 80.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.038 0.447 . . . . 0.0 110.501 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -66.18 -54.13 29.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.132 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 16.5 p -64.07 -34.22 77.53 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -175.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.782 ' HB3' HH22 ' A' ' 62' ' ' ARG . 15.2 mm100 -62.06 -37.85 86.58 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.617 175.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 92.1 mmm -70.79 -32.08 69.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.433 178.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -65.37 -38.01 88.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.118 0.485 . . . . 0.0 110.163 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 49' ' ' SER . 40.8 mtmt -73.27 -12.42 60.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.346 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 69.0 mtm -115.68 -161.04 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.968 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.74 -140.19 4.13 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.737 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -79.16 130.46 9.29 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.878 2.386 . . . . 0.0 112.978 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 59.57 94.15 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.403 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.506 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -79.23 163.8 24.83 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.74 2.293 . . . . 0.0 111.871 175.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.459 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 18.5 Cg_endo -61.31 139.34 82.44 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.731 2.288 . . . . 0.0 112.453 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.27 -42.78 99.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.885 -176.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.432 ' CE1' ' HB3' ' B' ' 38' ' ' ASP . 20.5 p80 -59.3 -30.23 68.18 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.138 0.494 . . . . 0.0 110.268 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.782 HH22 ' HB3' ' A' ' 50' ' ' GLN . 67.5 ttt-85 -74.49 -41.59 60.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.142 -177.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.02 -38.48 91.24 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 174.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 64' ' ' ARG . 30.6 ttp180 -57.06 -40.92 77.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.47 174.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.96 67.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.439 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 91.1 mmm -58.34 -31.83 67.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.749 -177.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.418 ' HA ' ' CE2' ' A' ' 9' ' ' TRP . 7.6 t30 -50.05 -56.73 9.63 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.476 0.485 . . . . 0.0 111.577 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.4 m -71.74 -28.47 63.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.443 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.26 -52.29 65.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 110.672 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.437 ' HE1' ' HA ' ' A' ' 19' ' ' THR . 18.8 ttt -64.4 -40.94 96.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.691 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.2 75.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.424 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.14 -34.41 76.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 -177.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.83 -55.93 28.1 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 123.08 0.238 . . . . 0.0 110.867 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.451 ' O ' HG22 ' A' ' 78' ' ' VAL . 53.5 t -56.19 -44.04 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.026 0.441 . . . . 0.0 110.643 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.31 -50.35 73.96 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.808 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.52 ' HB3' HG22 ' B' ' 68' ' ' THR . 3.1 pp20? -68.85 -28.82 67.06 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.604 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.621 HG11 ' HB3' ' A' ' 36' ' ' GLN . 24.3 t -61.41 -46.93 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 172.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 74' ' ' VAL . 95.4 t -63.22 -39.67 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.777 0.322 . . . . 0.0 110.544 176.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.81 2.89 9.08 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.89 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.419 ' HB ' ' HG2' ' A' ' 36' ' ' GLN . 40.4 m -86.7 -13.05 46.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.473 0.654 . . . . 0.0 109.775 174.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.408 ' HB2' ' HA ' ' A' ' 86' ' ' TYR . 3.2 m -73.2 145.55 85.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.684 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.8 155.92 60.9 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.111 1.874 . . . . 0.0 109.664 170.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -56.85 -35.85 98.49 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.372 2.048 . . . . 0.0 112.098 -172.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -69.32 -18.72 63.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.188 -0.914 . . . . 0.0 112.291 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 t -119.33 -3.5 10.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.963 0.411 . . . . 0.0 110.64 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.408 ' HA ' ' HB2' ' A' ' 81' ' ' SER . 38.4 t80 -60.97 -47.79 84.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.191 -177.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -62.82 -41.06 99.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.75 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.14 -49.48 77.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 81.5 t -65.44 -42.39 93.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.48 -52.32 66.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.453 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -57.73 -38.76 75.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.763 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.0 m -63.04 -59.24 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.626 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 93' ' ' ILE . 0.7 OUTLIER -58.41 -44.15 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 -178.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.46 -41.4 88.26 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.084 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.73 -40.34 72.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.716 0.293 . . . . 0.0 110.841 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.6 m -59.32 -44.05 92.61 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.024 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.912 ' HG ' ' HE2' ' A' ' 18' ' ' MET . 7.6 mp -54.07 -44.12 70.87 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.712 0.291 . . . . 0.0 111.551 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -60.16 -49.17 78.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.128 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -72.9 -42.03 64.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.08 -176.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.3 m -58.4 -35.89 72.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.038 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.522 ' HE1' HG12 ' A' ' 8' ' ' ILE . 9.7 mmt -64.27 -44.33 92.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.805 177.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 29.7 ttm -69.61 -30.07 67.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -80.39 -13.26 59.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.791 0.329 . . . . 0.0 110.922 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.46 -57.95 2.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.784 0.326 . . . . 0.0 111.227 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.444 HG22 ' CG2' ' A' ' 8' ' ' ILE . 82.5 p -109.79 -18.77 13.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.035 0.445 . . . . 0.0 111.293 -175.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.61 5.0 65.26 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.429 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 101' ' ' MET . 32.1 p -141.72 149.99 41.22 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.2 t -96.78 111.84 27.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.765 0.317 . . . . 0.0 110.678 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -81.82 124.85 30.03 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -89.66 -27.61 20.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.976 -175.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.78 -48.39 81.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.794 0.331 . . . . 0.0 110.94 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -69.48 -52.82 23.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.386 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.526 ' HA ' HD23 ' A' ' 97' ' ' LEU . 23.6 m -53.92 -43.45 69.76 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.9 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.538 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 56.9 t30 -69.48 -42.34 74.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.613 0.244 . . . . 0.0 110.754 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.98 -43.58 95.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.95 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.509 ' HA ' HD13 ' A' ' 119' ' ' LEU . 90.8 t -59.34 -36.62 64.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 120.883 0.373 . . . . 0.0 110.777 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.548 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 27.2 mmt -69.89 -31.77 69.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.21 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 25.7 mm-40 -78.51 -42.14 30.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.275 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 13.9 mt -54.92 -51.76 65.04 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.734 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.19 -39.27 84.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.609 -174.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 117' ' ' MET . 55.3 mtpt -62.56 -41.8 99.15 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 110.745 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.478 ' HE1' HD22 ' B' ' 119' ' ' LEU . 45.6 ttp -67.68 -39.94 84.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.709 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 91.4 mt -66.85 -40.83 88.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.1 t -89.81 15.47 9.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -92.05 84.49 5.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.304 0.573 . . . . 0.0 111.426 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -94.55 118.96 32.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.665 177.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.6 m -134.21 22.08 3.76 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.555 0.693 . . . . 0.0 109.72 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.57 -28.6 33.77 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.014 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -100.69 64.68 1.11 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.364 177.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.63 142.61 48.32 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.921 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 30.1 m -108.52 28.07 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.156 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.6 m -49.17 108.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.31 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 13.1 m . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.303 -178.062 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.438 0 N-CA-C 112.259 -0.336 . . . . 0.0 112.259 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -164.38 165.87 21.21 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.13 -10.4 85.55 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.479 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -118.33 164.82 14.64 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.5 t -72.9 175.76 6.28 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.151 0.501 . . . . 0.0 110.561 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -100.07 150.63 37.05 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.319 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.66 168.24 8.75 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.833 2.356 . . . . 0.0 112.586 177.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.589 HG12 ' HE3' ' B' ' 101' ' ' MET . 27.2 pt -80.63 15.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.357 -174.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -81.3 46.85 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.142 0.496 . . . . 0.0 111.736 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.5 p -91.22 -21.68 21.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.347 0.594 . . . . 0.0 109.74 172.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.459 ' HA ' ' HD3' ' B' ' 12' ' ' PRO . 45.9 m-80 -133.8 132.36 21.54 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.533 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' B' ' 11' ' ' ASN . 16.6 Cg_exo -64.26 -50.02 3.13 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.794 2.329 . . . . 0.0 112.812 -173.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.07 -27.71 61.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.736 -175.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.73 -45.43 78.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.993 0.425 . . . . 0.0 110.446 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.14 -34.21 70.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.052 0.453 . . . . 0.0 110.396 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 46.1 ttm -55.34 -31.89 62.09 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.457 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 48.1 m -62.59 -34.83 77.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.967 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.836 ' SD ' ' HE2' ' B' ' 101' ' ' MET . 7.5 ttt -65.84 -43.66 87.82 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 175.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -44.85 94.35 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.957 -178.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -68.52 -42.71 78.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -64.9 -29.58 70.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.223 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' B' ' 18' ' ' MET . 37.5 mt -63.19 -45.74 90.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.747 0.308 . . . . 0.0 110.651 175.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.19 -41.12 91.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.123 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -62.84 -42.74 99.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.542 176.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . 0.58 ' HA ' ' CD ' ' B' ' 28' ' ' ARG . 34.3 t -66.79 -36.59 82.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.05 0.452 . . . . 0.0 110.783 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.487 ' HB2' HD12 ' B' ' 32' ' ' LEU . . . -70.47 -38.23 74.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.255 0.55 . . . . 0.0 110.987 176.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 32.8 t -71.8 -31.81 66.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.866 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.58 ' CD ' ' HA ' ' B' ' 25' ' ' CYS . 1.8 ptm180 -81.1 -19.76 42.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.729 0.3 . . . . 0.0 110.7 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.6 p -88.51 -48.42 7.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.821 0.343 . . . . 0.0 110.734 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.0 20.15 73.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.708 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.567 HG11 HD13 ' B' ' 32' ' ' LEU . 10.7 p -86.8 -21.08 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.979 0.419 . . . . 0.0 110.583 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.622 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.9 mp -86.22 152.71 22.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.329 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 80.7 p -90.65 178.29 6.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.407 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.37 -30.52 68.47 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.028 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.62 -64.51 0.92 Allowed 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.772 0.796 . . . . 0.0 109.195 173.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.622 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 40.8 mt-30 -61.25 -41.37 96.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 113.975 -1.466 . . . . 0.0 111.978 -171.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 82.8 mmm -65.89 -33.06 74.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -176.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.432 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 33.9 t70 -78.76 -36.49 42.96 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.21 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.474 ' HA ' ' HG2' ' B' ' 42' ' ' MET . 67.6 m-20 -66.2 -40.64 90.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.929 176.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.591 ' HG2' HG12 ' B' ' 77' ' ' VAL . 61.1 mmm -60.98 -41.67 96.91 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.192 0.52 . . . . 0.0 110.097 172.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.8 -49.15 78.92 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.192 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.582 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 12.8 ptt? -70.42 -20.98 62.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.106 -0.237 . . . . 0.0 110.881 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' MET . . . . . 0.405 ' HB3' ' O ' ' B' ' 40' ' ' MET . 45.3 ttp -62.3 -53.41 55.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 173.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.3 98.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.754 175.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.582 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 21.2 t70 -54.74 -43.02 72.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.346 177.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 32.4 t -60.47 -48.71 80.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.636 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.48 -46.48 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.591 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -62.04 -48.33 80.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.121 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 49.7 p -66.26 -37.0 84.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.14 -175.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -61.77 -31.55 71.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.522 0.201 . . . . 0.0 111.25 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.411 ' SD ' ' HB2' ' B' ' 12' ' ' PRO . 37.2 mtp -72.56 -26.65 61.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 176.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -86.15 -27.47 24.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' B' ' 49' ' ' SER . 6.5 mmmm -63.79 -39.17 93.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.485 173.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 63.3 mtm -92.44 178.37 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.03 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -118.42 -138.71 5.97 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 176.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.78 147.92 31.7 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.384 2.056 . . . . 0.0 112.191 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 64.47 89.39 0.1 Allowed Pre-proline 0 N--CA 1.466 0.372 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.359 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -86.28 158.53 9.7 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.873 2.382 . . . . 0.0 112.837 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.461 ' HG2' ' CB ' ' B' ' 62' ' ' ARG . 67.4 Cg_endo -76.55 136.81 17.74 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 123.472 2.782 . . . . 0.0 112.638 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -70.59 -39.34 73.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.455 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.454 ' HD1' ' CG ' ' A' ' 39' ' ' ASP . 22.6 p80 -62.33 -28.11 69.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.603 0.24 . . . . 0.0 110.915 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.587 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 14.9 ttm180 -70.94 -37.41 72.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.21 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.44 -37.94 89.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -60.99 -39.1 88.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.906 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.2 -46.67 40.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.143 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 94.6 mmm -59.73 -31.78 69.94 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.313 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -50.82 -54.19 25.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.165 0.507 . . . . 0.0 110.645 175.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.52 HG22 ' HB3' ' A' ' 76' ' ' GLU . 8.0 m -74.78 -30.88 61.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.868 -177.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . 0.491 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -59.82 -56.95 15.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.383 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.7 ttt -57.74 -44.03 85.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.044 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.81 92.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.382 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.432 ' HA ' HD12 ' B' ' 119' ' ' LEU . . . -70.94 -33.94 70.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.093 -178.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 44.3 mt-10 -61.38 -52.13 65.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.622 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.47 ' O ' HG21 ' B' ' 78' ' ' VAL . 52.3 t -54.52 -44.91 70.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.109 0.48 . . . . 0.0 110.592 176.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.22 -48.15 82.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.757 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -69.52 -28.38 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.728 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.591 HG12 ' HG2' ' B' ' 40' ' ' MET . 35.2 t -62.08 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 173.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.47 HG21 ' O ' ' B' ' 74' ' ' VAL . 61.0 t -62.88 -40.18 87.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.081 0.467 . . . . 0.0 110.507 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.23 -4.19 27.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.841 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 87.2 m -80.57 -28.83 37.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 110.964 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 31.3 p -74.5 148.8 85.96 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.964 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -60.06 162.07 17.53 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.203 2.602 . . . . 0.0 111.86 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -52.21 -41.1 67.63 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.941 2.427 . . . . 0.0 113.109 -172.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -71.39 -17.27 62.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.49 -175.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 25.9 t -112.33 -8.83 13.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.717 0.294 . . . . 0.0 110.641 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -56.79 -56.53 20.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.731 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -65.54 -35.67 81.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.622 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.1 -47.92 82.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.912 0.387 . . . . 0.0 111.07 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 88.1 t -67.4 -41.95 86.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.092 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -58.49 -50.43 73.77 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.657 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -56.48 -40.77 75.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.579 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.1 m -66.54 -54.05 27.99 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.692 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -59.05 -41.92 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.995 179.567 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.01 -39.57 79.7 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.332 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.83 -37.2 56.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.956 0.408 . . . . 0.0 110.475 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 87.4 m -60.97 -38.33 85.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.605 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.558 ' HG ' ' HE3' ' B' ' 18' ' ' MET . 7.9 mp -60.54 -44.14 96.42 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.811 177.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -59.75 -47.5 85.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.581 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -65.51 -50.87 63.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.225 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.3 m -55.06 -41.22 71.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.571 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.836 ' HE2' ' SD ' ' B' ' 18' ' ' MET . 11.5 mmt -60.26 -45.33 93.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.027 0.441 . . . . 0.0 110.69 177.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.465 ' HE1' HG22 ' B' ' 108' ' ' VAL . 23.2 ttm -66.61 -32.96 74.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.228 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -81.39 -22.29 38.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.845 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.78 -64.32 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.901 0.381 . . . . 0.0 111.255 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.422 HG22 ' CG2' ' B' ' 8' ' ' ILE . 63.5 p -97.6 -31.76 12.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.438 -176.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.01 7.27 38.59 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -174.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' B' ' 101' ' ' MET . 14.0 p -143.05 150.0 38.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.465 HG22 ' HE1' ' B' ' 102' ' ' MET . 64.1 t -97.56 110.3 25.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.708 0.29 . . . . 0.0 110.806 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -78.82 133.44 37.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.953 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.46 -31.78 15.14 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.078 -177.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.5 63.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.787 0.327 . . . . 0.0 111.417 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -68.1 -49.09 63.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.321 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.532 ' HA ' HD23 ' B' ' 97' ' ' LEU . 22.9 m -58.7 -36.21 73.87 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.773 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -73.79 -41.21 62.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.6 0.238 . . . . 0.0 110.883 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.82 -44.69 93.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -176.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.452 HG23 HD22 ' B' ' 97' ' ' LEU . 69.3 t -60.89 -35.59 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.834 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.523 ' HA ' ' HE2' ' B' ' 117' ' ' MET . 28.5 mmt -69.2 -28.6 66.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.69 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -80.41 -44.72 18.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.886 0.374 . . . . 0.0 110.258 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.478 HD22 ' HE1' ' A' ' 122' ' ' MET . 16.5 mt -55.07 -48.94 72.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.062 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 8.4 p -66.05 -41.21 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.052 -174.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -68.45 -34.54 76.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.905 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.469 ' HE1' HD22 ' A' ' 119' ' ' LEU . 45.7 ttp -69.52 -38.34 77.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.46 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' B' ' 119' ' ' LEU . 92.1 mt -70.68 -24.01 62.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.169 0.509 . . . . 0.0 110.811 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 46.0 m -103.24 10.15 37.8 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.045 -178.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -82.54 85.86 6.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.373 0.606 . . . . 0.0 111.319 -176.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -79.45 101.95 8.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.29 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 26.4 m -106.96 20.26 19.29 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.011 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.15 -5.74 49.49 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.261 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -83.18 89.57 6.98 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.725 176.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -66.14 115.31 6.02 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.179 -0.918 . . . . 0.0 110.908 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 35.5 m -79.08 -11.9 13.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.753 175.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 3.7 m -60.35 109.34 0.97 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.104 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.251 -178.428 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.028 -0.429 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 m -69.83 110.34 4.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.917 0.389 . . . . 0.0 110.238 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 106.15 30.73 4.35 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.277 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -88.87 -23.61 22.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.206 0.527 . . . . 0.0 110.308 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.3 m -149.11 155.18 40.32 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 6' ' ' GLN . 25.9 pt20 -129.51 109.77 17.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 121.22 0.533 . . . . 0.0 111.318 -176.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -86.47 153.2 9.12 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.081 2.521 . . . . 0.0 111.071 173.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.475 HD11 ' SD ' ' A' ' 101' ' ' MET . 5.6 pt -79.3 9.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.889 0.376 . . . . 0.0 111.425 -178.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -82.49 25.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.623 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.458 HG22 ' ND2' ' A' ' 11' ' ' ASN . 11.1 t -75.7 -21.36 57.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 171.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.458 ' ND2' HG22 ' A' ' 10' ' ' THR . 47.9 m-80 -134.9 114.0 11.79 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.177 -0.919 . . . . 0.0 108.561 171.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -65.28 -28.49 55.36 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.807 2.338 . . . . 0.0 112.628 -174.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -72.28 -37.94 68.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.752 0.311 . . . . 0.0 110.222 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.14 82.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.118 0.485 . . . . 0.0 110.164 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.443 ' HA ' ' CD1' ' A' ' 8' ' ' ILE . . . -64.97 -41.76 95.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.107 175.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 46.8 ttm -63.02 -28.95 70.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.559 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.6 m -62.34 -40.69 97.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.931 176.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.873 ' HE2' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -63.51 -41.42 98.52 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.105 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.52 -44.78 95.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.054 178.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -72.37 -37.19 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.338 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -62.05 -36.28 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.83 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.5 mt -59.34 -45.12 92.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.708 0.289 . . . . 0.0 110.919 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.8 t -62.91 -41.88 94.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.519 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -67.17 -36.15 81.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.893 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.521 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 39.4 t -68.57 -37.91 80.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.248 0.546 . . . . 0.0 110.335 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.87 -34.39 73.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.772 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.7 t -72.13 -35.82 69.22 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.054 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.521 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 3.5 ptp180 -75.23 -27.85 59.67 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.93 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.435 ' HB2' HG22 ' A' ' 31' ' ' VAL . 28.5 p -81.89 -54.69 5.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.635 0.255 . . . . 0.0 110.555 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.25 28.36 60.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.66 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.435 HG22 ' HB2' ' A' ' 29' ' ' SER . 12.2 t -81.83 -22.32 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.481 0.658 . . . . 0.0 109.92 177.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 32' ' ' LEU . 4.5 mp -94.68 158.7 15.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.517 -175.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.5 p -82.99 172.82 12.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.529 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.96 98.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.629 0.252 . . . . 0.0 111.409 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.89 -37.28 86.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 0.0 110.338 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -69.73 -40.34 76.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.714 177.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 82.9 mmm -66.44 -40.22 89.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.08 0.467 . . . . 0.0 110.843 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.61 -30.51 69.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.022 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' OD1' ' HE3' ' A' ' 42' ' ' MET . 7.1 t0 -65.36 -46.57 79.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.62 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.537 ' O ' ' HB3' ' A' ' 43' ' ' MET . 89.0 mtp -66.93 -33.16 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.394 176.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.39 -46.63 93.47 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.164 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.587 ' HE1' ' HA ' ' B' ' 62' ' ' ARG . 11.7 ptt? -75.88 -15.3 60.23 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.303 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.537 ' HB3' ' O ' ' A' ' 40' ' ' MET . 47.7 ttp -62.0 -51.63 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 171.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.78 84.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.057 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.494 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 19.4 t70 -61.62 -48.06 82.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.706 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 p -64.68 -32.61 74.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 111.416 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.45 HG21 ' O ' ' A' ' 43' ' ' MET . 45.9 t -70.02 -42.16 79.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.942 0.401 . . . . 0.0 110.295 174.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -72.66 -42.1 64.7 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.381 -174.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.42 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 8.3 p -62.21 -38.46 89.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -175.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.53 ' HB2' ' NH2' ' A' ' 62' ' ' ARG . 48.0 mt-30 -68.04 -28.28 67.25 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.774 178.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 91.0 mmm -67.64 -31.56 71.64 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 176.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -77.02 -24.57 52.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.033 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' B' ' 49' ' ' SER . 7.8 mtpm? -78.15 -17.9 56.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.734 175.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 69.4 mtm -113.77 -164.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.501 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -138.4 -153.28 6.17 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.863 -0.685 . . . . 0.0 112.292 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.44 129.97 26.91 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 123.125 2.55 . . . . 0.0 112.366 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 54.56 80.55 0.29 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.247 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -68.15 161.7 43.31 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.784 2.323 . . . . 0.0 111.646 175.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.436 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 14.4 Cg_endo -57.42 118.61 5.51 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.574 2.182 . . . . 0.0 111.472 177.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -58.7 -29.62 66.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.83 -174.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.811 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 9.6 p80 -67.62 -26.83 66.44 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.127 0.489 . . . . 0.0 110.562 178.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.601 ' O ' ' HG2' ' A' ' 66' ' ' MET . 3.2 tmt_? -67.28 -34.96 78.5 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 173.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.6 mp -69.9 -37.14 75.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.156 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.811 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 32.8 ptt180 -63.3 -39.74 95.43 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.21 84.15 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.821 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.601 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 97.1 mmm -69.18 -28.96 66.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.208 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -58.36 -48.58 80.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.135 0.493 . . . . 0.0 110.041 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.51 HG22 ' HB3' ' B' ' 72' ' ' ALA . 11.6 m -71.11 -36.41 72.15 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.709 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -62.59 -55.2 29.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.185 178.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.9 ttt -55.74 -44.48 77.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.103 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.413 ' HB1' HG21 ' A' ' 116' ' ' VAL . . . -61.97 -41.98 98.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.087 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.505 ' HB3' HG23 ' B' ' 68' ' ' THR . . . -72.55 -32.1 65.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.263 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.549 ' O ' HG21 ' A' ' 77' ' ' VAL . 49.1 mt-10 -62.2 -48.3 80.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.401 177.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.41 -45.39 93.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.998 0.428 . . . . 0.0 110.648 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 120' ' ' VAL . . . -59.94 -40.95 90.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.698 179.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.608 ' HG3' ' HA ' ' B' ' 65' ' ' ALA . 1.3 tm-20 -58.46 -49.09 78.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.58 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.549 HG21 ' O ' ' A' ' 73' ' ' GLU . 78.3 t -56.61 -47.45 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.427 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.89 -37.58 68.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.777 -176.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.44 -16.46 63.49 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -174.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.2 m -83.0 -7.26 59.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.119 0.485 . . . . 0.0 111.234 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.3 m -68.63 153.64 95.57 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.683 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.597 ' HD2' ' HB3' ' A' ' 85' ' ' SER . 44.9 Cg_exo -57.72 161.75 11.96 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.976 2.451 . . . . 0.0 111.22 177.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -61.51 -33.93 86.6 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.149 1.899 . . . . 0.0 111.865 -171.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -90.55 -24.6 20.56 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.733 -176.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.597 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 19.7 t -92.69 -16.93 24.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.241 0.543 . . . . 0.0 110.222 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -54.24 -46.11 72.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.195 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.6 t -64.43 -37.11 86.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.02 -50.2 62.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.952 0.406 . . . . 0.0 110.749 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 63.9 t -62.4 -42.3 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.457 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.73 -49.42 77.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.623 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -59.33 -37.6 78.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.533 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.4 m -64.96 -55.22 20.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.745 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -61.13 -41.91 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.986 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.75 -41.06 82.08 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.379 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.84 -38.66 67.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.76 0.314 . . . . 0.0 110.612 177.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 99.0 m -59.17 -44.59 92.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.558 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.873 ' HG ' ' HE2' ' A' ' 18' ' ' MET . 8.5 mp -55.2 -41.23 71.69 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.665 0.269 . . . . 0.0 111.577 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.541 ' HG3' HG21 ' A' ' 108' ' ' VAL . 54.4 ttt-85 -62.5 -53.63 51.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.858 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -65.79 -45.73 81.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.871 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.8 m -57.92 -37.3 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.671 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.516 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 10.3 mmt -64.37 -44.76 90.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.772 0.32 . . . . 0.0 110.432 177.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 26.3 ttm -68.12 -31.8 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.058 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -82.57 -13.68 56.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.821 0.344 . . . . 0.0 110.895 177.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.01 -65.26 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.045 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.401 HG22 ' HB ' ' A' ' 8' ' ' ILE . 76.4 p -95.03 -22.0 18.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.057 0.456 . . . . 0.0 111.263 -175.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 102.61 -1.15 49.21 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.4 -175.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.0 m -146.03 157.47 43.86 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.541 HG21 ' HG3' ' A' ' 98' ' ' ARG . 7.6 p -107.33 125.39 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.491 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -87.84 146.49 25.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.769 173.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -105.08 -15.35 15.11 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.236 -177.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.17 -51.8 41.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.655 0.264 . . . . 0.0 110.595 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -66.04 -48.73 70.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.068 0.461 . . . . 0.0 109.946 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.519 ' HA ' HD21 ' A' ' 97' ' ' LEU . 12.1 m -54.33 -44.81 72.38 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.677 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -69.51 -41.62 75.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.333 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -59.24 -45.17 91.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.427 ' HA ' HD12 ' A' ' 119' ' ' LEU . 67.6 t -61.16 -37.94 78.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.719 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.583 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 24.6 mmt -63.26 -34.85 78.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.769 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -73.74 -45.93 48.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.053 0.454 . . . . 0.0 110.161 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.55 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 13.6 mt -55.05 -52.9 61.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.553 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.409 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 13.5 p -63.12 -35.56 72.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.802 -173.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -75.32 -36.85 61.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.768 0.318 . . . . 0.0 110.458 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.498 ' HE1' HD23 ' B' ' 119' ' ' LEU . 37.0 ttp -68.58 -36.2 78.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.372 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 84.0 mt -62.59 -22.03 66.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.823 0.344 . . . . 0.0 111.246 -178.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t -116.76 20.82 13.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.935 0.398 . . . . 0.0 110.201 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -105.45 29.36 6.56 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.865 -176.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -79.59 126.05 30.4 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.1 m -72.82 81.12 1.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.191 0.519 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -101.75 31.69 3.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.188 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -72.02 99.65 2.32 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.107 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -76.64 109.85 10.74 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.919 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 27.5 m -100.39 -18.61 6.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.433 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.7 t -84.95 101.87 12.7 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.515 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 18.1 p . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.42 -178.386 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.068 -0.413 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.8 p -155.57 105.91 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.666 0.27 . . . . 0.0 110.4 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.99 19.17 77.88 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.053 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -96.88 138.62 34.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.638 0.256 . . . . 0.0 110.425 -177.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -61.32 129.3 40.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.952 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 12.7 pm0 -98.98 128.05 33.33 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-O 121.168 0.509 . . . . 0.0 111.286 -174.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -89.06 162.73 5.85 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.775 2.316 . . . . 0.0 110.955 171.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.57 ' HB ' HG22 ' B' ' 105' ' ' THR . 2.6 pp -74.28 -13.37 15.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.862 0.363 . . . . 0.0 111.068 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -72.63 83.07 1.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.846 0.832 . . . . 0.0 111.271 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.8 m -150.08 -34.68 0.17 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.368 174.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.462 ' HB2' ' HB2' ' B' ' 14' ' ' ALA . 58.6 m-20 -95.31 109.6 45.98 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.694 173.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.32 -45.18 15.88 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.573 2.182 . . . . 0.0 113.233 -170.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -79.88 -25.77 40.53 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.779 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.462 ' HB2' ' HB2' ' B' ' 11' ' ' ASN . . . -67.71 -41.64 83.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.953 0.406 . . . . 0.0 109.94 173.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.04 -37.94 87.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.226 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 42.3 ttm -64.17 -28.56 69.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.728 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.5 m -63.46 -36.72 84.67 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 176.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 1.038 ' HE3' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -64.39 -45.66 86.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.068 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.401 ' HA ' ' HE2' ' B' ' 70' ' ' MET . 0.9 OUTLIER -59.79 -42.4 93.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.538 177.831 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -65.63 -50.04 66.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.485 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.15 -33.59 72.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.374 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 24.8 mt -59.29 -51.4 70.12 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.64 0.257 . . . . 0.0 110.439 175.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.34 -43.92 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.602 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.473 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 45.9 mt-30 -59.74 -49.17 78.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.719 0.295 . . . . 0.0 110.577 177.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 37.7 t -62.89 -42.75 99.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -178.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.402 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -68.15 -38.54 82.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.173 0.511 . . . . 0.0 111.354 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' SER . . . . . 0.521 ' HB2' ' HE2' ' B' ' 37' ' ' MET . 26.1 t -70.38 -39.15 74.73 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.951 -178.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 16.0 ptp180 -83.27 -17.43 42.63 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.453 -178.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 26.4 p -79.1 -39.98 32.31 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 171.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.42 27.53 71.27 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.637 174.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 t -84.51 -22.22 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.444 0.64 . . . . 0.0 109.528 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.45 HD11 ' N ' ' B' ' 32' ' ' LEU . 5.0 mp -100.98 153.5 19.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.238 -177.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 63.3 p -84.29 170.61 13.5 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.249 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.06 -29.19 70.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.871 0.367 . . . . 0.0 110.705 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -59.45 -53.8 53.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.391 174.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.567 ' HB3' HG11 ' B' ' 77' ' ' VAL . 51.8 mt-30 -65.1 -43.99 90.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.127 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' MET . . . . . 0.521 ' HE2' ' HB2' ' B' ' 27' ' ' SER . 80.3 mmm -64.02 -31.57 72.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.657 -178.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.503 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 2.5 t70 -74.13 -35.31 64.1 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -48.36 77.18 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.936 171.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' B' ' 43' ' ' MET . 89.3 mtp -66.41 -36.79 83.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.139 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.41 -44.19 97.98 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.624 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.422 ' HE2' ' HB3' ' B' ' 42' ' ' MET . 11.0 tmm? -64.15 -33.81 76.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.962 0.41 . . . . 0.0 110.548 176.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' MET . . . . . 0.439 ' O ' HG23 ' B' ' 47' ' ' VAL . 42.8 ttp -58.8 -47.31 85.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.503 177.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.88 94.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.467 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.12 -39.51 82.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.898 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.7 p -65.77 -36.22 82.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 43' ' ' MET . 43.1 t -69.19 -39.13 78.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.168 0.508 . . . . 0.0 109.881 173.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -69.36 -47.93 62.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.304 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.424 ' HB3' ' HE3' ' A' ' 53' ' ' LYS . 7.0 p -59.13 -43.54 92.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.74 -173.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.566 ' HB2' ' NH2' ' B' ' 62' ' ' ARG . 48.3 mt-30 -64.39 -26.35 68.42 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.92 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 83.5 mmm -74.31 -26.5 60.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.896 0.379 . . . . 0.0 110.624 178.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -80.15 -31.6 38.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.29 0.567 . . . . 0.0 109.544 175.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -73.88 -32.86 63.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.392 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 73.0 mtm -91.29 178.81 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.397 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.27 -138.87 4.67 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.196 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.0 126.17 13.48 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.62 2.213 . . . . 0.0 112.56 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 60.64 89.59 0.1 Allowed Pre-proline 0 N--CA 1.467 0.423 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.93 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.69 163.84 31.09 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.96 2.44 . . . . 0.0 111.699 176.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' B' ' 62' ' ' ARG . 20.6 Cg_endo -63.01 135.64 52.38 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.396 2.064 . . . . 0.0 112.007 177.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.413 ' HA ' HE21 ' B' ' 60' ' ' GLN . 0.0 OUTLIER -60.29 -36.44 77.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.796 -176.468 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.825 ' HA ' ' HG2' ' B' ' 64' ' ' ARG . 13.8 p80 -65.66 -21.78 66.58 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.116 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.587 ' HA ' ' HE1' ' A' ' 42' ' ' MET . 2.3 tmt_? -65.32 -33.98 77.26 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 94.3 mt -74.06 -42.2 60.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.84 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.825 ' HG2' ' HA ' ' B' ' 61' ' ' HIS . 39.2 ptt85 -66.45 -33.32 75.43 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.409 -178.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.608 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . . . -76.63 -45.83 28.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 98.8 mmm -65.58 -24.28 67.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.427 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -54.63 -55.99 23.77 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.547 172.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.505 HG23 ' HB3' ' A' ' 72' ' ' ALA . 17.0 m -72.15 -34.24 68.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.791 -178.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -61.06 -55.33 33.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.793 178.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' MET . . . . . 0.401 ' HE2' ' HA ' ' B' ' 19' ' ' THR . 18.8 ttt -55.89 -45.46 78.6 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.954 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.82 99.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.28 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.51 ' HB3' HG22 ' A' ' 68' ' ' THR . . . -68.78 -38.04 79.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.453 -178.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.523 ' O ' HG21 ' B' ' 77' ' ' VAL . 49.0 mt-10 -62.82 -45.26 93.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.456 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.442 ' O ' HG21 ' B' ' 78' ' ' VAL . 51.3 t -59.65 -43.81 92.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.664 0.269 . . . . 0.0 110.639 175.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.41 95.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.04 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -59.28 -47.94 83.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.934 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' B' ' 36' ' ' GLN . 97.5 t -60.02 -43.16 91.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.485 -179.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.442 HG21 ' O ' ' B' ' 74' ' ' VAL . 69.5 t -69.9 -42.61 79.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.116 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.51 91.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.2 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 24.5 m -79.46 76.14 6.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.33 0.585 . . . . 0.0 110.575 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 77.8 p -154.65 161.42 29.42 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.61 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.79 139.61 86.26 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.121 1.881 . . . . 0.0 111.0 175.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.97 -19.65 66.74 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.585 2.19 . . . . 0.0 112.273 -173.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.434 ' NE2' ' HB2' ' B' ' 85' ' ' SER . 4.7 pp0? -80.67 -17.96 49.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.447 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.434 ' HB2' ' NE2' ' B' ' 84' ' ' GLN . 10.7 t -118.29 -4.34 10.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.967 -177.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -56.1 -48.37 76.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.652 0.263 . . . . 0.0 110.717 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 32.5 t -61.22 -38.13 85.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.96 -51.73 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.729 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.37 -44.02 91.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.46 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.1 -51.43 70.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.357 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -63.4 -37.08 85.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.712 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.6 m -62.35 -54.72 36.34 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.272 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . 0.471 HD11 ' HA ' ' B' ' 93' ' ' ILE . 0.7 OUTLIER -60.03 -45.08 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.675 178.674 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.54 -44.15 85.73 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.189 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.14 -42.63 75.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.646 0.26 . . . . 0.0 110.748 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 86.7 m -61.42 -34.91 76.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.293 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 1.038 ' HG ' ' HE3' ' B' ' 18' ' ' MET . 3.9 mp -58.09 -46.35 85.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.66 0.267 . . . . 0.0 111.227 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -58.94 -48.7 80.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -65.6 -47.45 75.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.722 -177.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 46.5 m -54.12 -46.49 72.18 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.257 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.494 ' SD ' ' HG3' ' B' ' 18' ' ' MET . 16.6 mmt -63.67 -45.02 92.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 111.017 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 22.0 ttm -65.93 -31.33 72.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.416 -176.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -89.7 -13.19 37.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.602 0.239 . . . . 0.0 111.463 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -94.56 -45.66 7.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.006 0.432 . . . . 0.0 111.264 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.57 HG22 ' HB ' ' B' ' 8' ' ' ILE . 62.6 p -108.4 -40.02 5.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.968 0.413 . . . . 0.0 111.142 -177.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 125.07 -7.12 8.17 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 49.9 m -150.45 159.3 44.58 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 3.0 p -88.82 114.92 27.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.206 0.527 . . . . 0.0 111.077 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -68.27 106.32 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.016 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -75.78 -28.14 58.29 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.854 -175.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.41 86.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.008 0.432 . . . . 0.0 110.619 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . 0.425 ' O ' HG21 ' B' ' 116' ' ' VAL . 78.1 t80 -69.41 -50.75 42.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.286 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.545 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 19.3 m -56.45 -40.01 74.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.994 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -68.19 -44.49 75.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.785 0.326 . . . . 0.0 110.549 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.78 -45.62 93.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.158 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.425 HG21 ' O ' ' B' ' 112' ' ' PHE . 91.5 t -57.34 -37.89 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 111.24 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.547 ' HA ' ' HE3' ' B' ' 117' ' ' MET . 30.0 mmt -68.12 -34.2 75.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.783 -178.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -78.76 -37.42 41.14 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.412 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.498 HD23 ' HE1' ' A' ' 122' ' ' MET . 12.6 mt -56.48 -48.9 76.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.204 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.57 -33.79 58.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.509 -175.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' B' ' 117' ' ' MET . 53.2 mtpt -79.5 -25.5 41.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.522 0.201 . . . . 0.0 110.986 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.469 ' HE2' HD23 ' A' ' 119' ' ' LEU . 42.6 ttp -67.93 -37.86 82.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.961 0.41 . . . . 0.0 110.058 175.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.04 -18.31 61.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.273 0.559 . . . . 0.0 109.993 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 21.5 t -104.2 14.77 29.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.4 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -84.65 30.5 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.594 0.711 . . . . 0.0 111.373 -175.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -78.82 108.86 12.57 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.451 178.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 29.5 t -80.17 138.51 36.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.119 178.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -95.45 16.7 16.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.727 -173.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -76.1 72.59 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.381 0.61 . . . . 0.0 109.809 177.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -99.9 117.79 34.96 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.711 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 35.2 m -84.12 8.35 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.735 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 1.4 m -80.91 80.84 7.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.062 177.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.647 -0.692 . . . . 0.0 110.573 -179.482 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.783 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 p -85.63 -56.98 3.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.9 0.381 . . . . 0.0 110.645 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 124.83 -132.48 8.16 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.578 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -124.18 9.58 8.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.836 0.827 . . . . 0.0 109.04 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.479 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 8.5 t -154.74 175.45 13.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.694 178.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' A' ' 5' ' ' SER . 15.4 mm-40 72.97 127.02 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.283 0 O-C-N 123.925 0.766 . . . . 0.0 112.479 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 26.7 Cg_exo -62.39 156.92 48.61 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.755 2.304 . . . . 0.0 111.283 174.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.522 ' CG2' HG22 ' A' ' 105' ' ' THR . 9.1 pt -74.62 4.01 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -173.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -81.44 22.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.9 m -74.49 -26.42 59.99 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 173.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -128.57 131.98 24.08 Favored Pre-proline 0 C--O 1.233 0.222 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.11 175.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -69.82 -34.04 15.19 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.78 2.32 . . . . 0.0 113.045 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -81.97 -30.49 31.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.982 0.42 . . . . 0.0 109.96 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.71 -48.26 80.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.469 175.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.499 ' HA ' HD13 ' A' ' 8' ' ' ILE . . . -65.64 -34.81 79.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.99 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.0 ttm -57.09 -31.26 65.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.279 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.6 m -61.9 -36.72 82.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.041 0.448 . . . . 0.0 110.396 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.409 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -67.73 -39.82 84.24 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.421 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.449 ' HA ' ' HE1' ' A' ' 70' ' ' MET . 0.8 OUTLIER -63.72 -45.58 89.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.587 177.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.453 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 93.7 m-20 -60.05 -47.08 87.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.857 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -61.2 -37.55 83.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.754 -178.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.73 HD23 HD11 ' A' ' 97' ' ' LEU . 31.5 mt -60.91 -42.12 97.46 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.674 0.274 . . . . 0.0 111.206 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.27 -38.42 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.925 0.393 . . . . 0.0 110.244 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.497 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 25.1 mt-30 -64.7 -47.52 78.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.071 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.438 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 29.7 p -71.75 -34.66 69.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.704 0.288 . . . . 0.0 110.762 -178.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.8 -44.7 92.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.014 0.435 . . . . 0.0 110.777 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -65.86 -31.03 71.75 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.709 -176.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 5.1 ptm180 -90.34 -7.55 53.01 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.5 p -75.36 -50.52 15.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.558 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.59 8.7 76.61 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.846 -177.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.4 t -85.61 -37.27 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.158 0.504 . . . . 0.0 110.688 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.417 ' N ' HD13 ' A' ' 32' ' ' LEU . 6.2 mp -82.8 156.05 23.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.516 -174.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.0 p -89.88 178.91 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.702 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.59 96.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.462 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -54.83 -50.89 67.49 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.97 176.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -65.7 -43.63 88.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.877 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.0 mmm -66.29 -35.83 81.39 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.486 ' OD2' ' HE1' ' B' ' 61' ' ' HIS . 33.1 t70 -70.82 -35.42 72.48 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -63.16 -48.52 78.08 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.163 0.506 . . . . 0.0 109.898 173.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.6 mmm -58.86 -40.35 84.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.524 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.06 -45.42 96.61 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.895 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.436 ' SD ' ' HD3' ' B' ' 62' ' ' ARG . 51.3 ttp -60.34 -34.91 74.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.494 0.187 . . . . 0.0 110.869 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.583 ' O ' HG22 ' A' ' 47' ' ' VAL . 45.8 ttp -59.44 -53.83 53.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.943 0.401 . . . . 0.0 110.801 178.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.72 -33.28 75.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.207 0.527 . . . . 0.0 110.519 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.36 -43.58 85.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.0 p -65.41 -39.29 91.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.981 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 43' ' ' MET . 34.5 t -58.58 -50.74 77.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.904 0.383 . . . . 0.0 109.999 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -64.77 -39.95 94.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.9 m -65.28 -45.01 86.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.308 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.642 ' OE1' ' HB3' ' B' ' 46' ' ' SER . 11.0 mt-30 -75.85 -29.53 58.62 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.456 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 47' ' ' VAL . 5.5 tmm? -56.38 -47.25 79.31 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.028 0.442 . . . . 0.0 110.04 173.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -78.71 -26.69 44.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.417 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.464 ' HB2' ' HA ' ' A' ' 50' ' ' GLN . 24.9 mtpp -61.48 -43.96 97.93 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.057 0.456 . . . . 0.0 110.429 172.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 75.0 mtm -75.14 -39.1 60.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.313 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.15 -161.17 26.45 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.248 175.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.06 134.79 30.38 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.71 2.274 . . . . 0.0 111.804 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.0 m120 57.29 73.46 0.78 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.891 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -81.62 162.69 19.1 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.46 2.107 . . . . 0.0 112.489 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.0 141.51 58.36 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.417 2.078 . . . . 0.0 111.604 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -82.73 -18.63 40.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.469 -172.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.862 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 35.0 p80 -73.38 -30.36 63.24 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.404 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.537 ' O ' ' HG2' ' A' ' 66' ' ' MET . 72.2 mtt180 -71.81 -26.12 62.28 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.246 173.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.6 mt -72.02 -38.54 69.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.674 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.862 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 11.7 ptt180 -62.17 -37.14 84.13 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.507 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -68.97 -36.9 78.41 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.875 177.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 93.3 mmm -65.12 -32.23 73.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.603 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -52.42 -61.16 2.46 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.104 0.478 . . . . 0.0 111.033 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.498 HG23 ' HB2' ' B' ' 72' ' ' ALA . 95.4 m -73.2 -23.64 60.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.98 -57.5 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 175.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.449 ' HE1' ' HA ' ' A' ' 19' ' ' THR . 20.3 ttt -57.25 -46.02 83.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.645 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.82 -46.29 91.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.622 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.505 ' HB2' HG22 ' B' ' 68' ' ' THR . . . -69.74 -34.79 74.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.441 -176.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 48.9 mt-10 -63.91 -44.59 92.5 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.472 178.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.463 HG21 ' SD ' ' A' ' 43' ' ' MET . 68.2 t -59.23 -48.09 88.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 121.067 0.46 . . . . 0.0 110.523 175.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.38 93.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.065 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.911 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 33.8 tp10 -58.95 -47.94 83.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.575 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 73' ' ' GLU . 71.5 t -54.38 -50.72 55.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.544 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.412 HG23 HG11 ' A' ' 89' ' ' VAL . 59.4 t -67.7 -43.99 86.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.821 -178.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.37 -26.01 68.28 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -176.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.516 HG23 ' HD2' ' B' ' 64' ' ' ARG . 2.7 m -96.84 28.28 3.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.499 0.666 . . . . 0.0 110.812 -177.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.464 ' HB2' ' HA ' ' A' ' 86' ' ' TYR . 32.0 m -84.68 156.05 61.79 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.464 173.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 85' ' ' SER . 37.1 Cg_exo -57.53 152.38 48.19 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 121.724 1.616 . . . . 0.0 110.159 171.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -55.12 -32.46 79.93 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.167 1.911 . . . . 0.0 111.709 -176.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -82.12 -9.94 59.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.013 -177.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.471 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 33.0 t -119.96 -14.11 8.95 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -173.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.464 ' HA ' ' HB2' ' A' ' 81' ' ' SER . 43.3 t80 -49.53 -59.99 3.26 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.217 0.532 . . . . 0.0 111.501 -178.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 m -59.54 -37.72 79.14 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.603 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.84 -47.35 72.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.979 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.412 HG11 HG23 ' A' ' 78' ' ' VAL . 61.5 t -65.2 -40.92 90.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.077 0.465 . . . . 0.0 109.954 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.11 -52.81 64.01 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.772 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -58.61 -39.01 79.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.094 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 73.1 m -61.87 -49.58 75.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.62 -178.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.446 HD11 ' HA ' ' A' ' 93' ' ' ILE . 1.5 mm -66.76 -47.11 83.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.301 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.73 -29.63 74.46 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.683 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.49 -41.6 32.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.789 0.328 . . . . 0.0 110.349 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 53.7 t -66.7 -37.68 85.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.674 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.73 HD11 HD23 ' A' ' 22' ' ' LEU . 2.3 mp -48.58 -48.78 38.73 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 111.328 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.454 ' HG3' HG23 ' A' ' 108' ' ' VAL . 61.2 ttt180 -61.21 -48.51 81.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.235 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -70.76 -44.2 67.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.058 -176.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.8 m -55.29 -42.23 73.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.425 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.519 ' HE2' HG12 ' A' ' 8' ' ' ILE . 10.0 mmt -63.81 -42.21 97.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.344 . . . . 0.0 110.941 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 32.9 ttm -72.17 -28.91 63.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.332 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -80.41 -34.19 36.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.917 0.389 . . . . 0.0 110.726 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.08 -48.95 40.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.351 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.522 HG22 ' CG2' ' A' ' 8' ' ' ILE . 62.0 p -111.96 -47.84 3.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.111 0.481 . . . . 0.0 111.332 -175.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 136.39 -14.39 3.97 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 48.9 m -139.26 156.7 46.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.472 ' HA ' ' HB3' ' A' ' 101' ' ' MET . 3.5 p -92.22 117.29 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.17 0.51 . . . . 0.0 111.223 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -79.0 135.86 37.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.214 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -93.14 -23.91 18.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.657 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.56 -45.59 89.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.612 0.244 . . . . 0.0 111.371 -174.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.412 ' O ' HG22 ' A' ' 116' ' ' VAL . 78.9 t80 -75.1 -49.88 18.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.789 0.328 . . . . 0.0 110.615 177.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.535 ' HA ' HD22 ' A' ' 97' ' ' LEU . 30.2 m -57.34 -45.35 84.39 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.504 -176.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -64.73 -43.26 93.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.964 0.411 . . . . 0.0 110.498 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -58.54 -44.31 89.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.745 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 112' ' ' PHE . 55.1 t -60.15 -38.04 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 178.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.573 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 18.9 mmt -70.52 -38.62 74.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.335 -176.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -73.21 -36.71 66.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.41 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.486 HD22 ' HE3' ' B' ' 122' ' ' MET . 15.6 mt -58.03 -51.23 70.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.883 177.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.8 -30.85 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.806 -173.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 117' ' ' MET . 66.4 mttm -66.23 -45.31 81.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.211 0.529 . . . . 0.0 109.802 175.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.479 ' HE2' HD23 ' B' ' 119' ' ' LEU . 47.8 ttp -68.71 -41.96 78.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.155 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.25 -21.57 65.28 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 111.515 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.6 t -84.58 -2.43 57.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.275 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -132.84 116.36 16.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.91 0.386 . . . . 0.0 111.581 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -111.27 143.16 42.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.025 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.1 m -77.69 54.7 1.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.44 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -100.56 21.0 13.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.605 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -78.06 143.71 37.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.312 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.49 106.61 3.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.9 0.381 . . . . 0.0 110.767 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 30.8 m -106.22 -30.54 2.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.721 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.6 t -172.17 154.93 3.5 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.32 -0.69 0 CA-C-O 120.618 0.247 . . . . 0.0 110.56 178.844 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.445 0 N-CA-C 112.342 -0.303 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.6 p -105.01 -45.24 4.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.048 0.452 . . . . 0.0 110.716 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 154.7 171.65 21.71 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -107.44 14.79 25.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.572 0.701 . . . . 0.0 110.12 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' B' ' 6' ' ' GLN . 8.9 t -156.03 164.37 38.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.506 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' B' ' 5' ' ' SER . 28.1 mm-40 72.83 146.45 0.11 Allowed Pre-proline 0 CA--C 1.53 0.206 0 O-C-N 124.226 0.953 . . . . 0.0 112.328 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -62.76 144.25 93.44 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.644 2.229 . . . . 0.0 112.257 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.526 HG12 ' HE3' ' B' ' 101' ' ' MET . 25.1 pt -82.18 16.14 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.058 -175.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -83.45 51.93 2.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.288 0.566 . . . . 0.0 111.729 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 22.2 p -100.27 -49.45 4.26 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.36 171.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -104.46 123.8 39.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.543 175.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -65.32 -27.15 55.67 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.715 2.277 . . . . 0.0 112.44 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -72.42 -39.59 67.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.62 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.12 -45.35 73.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.891 0.377 . . . . 0.0 110.736 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.32 90.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.08 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -63.33 -30.01 71.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.812 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 86.7 m -65.28 -35.62 81.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.589 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.467 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.82 -40.57 96.93 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.277 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.466 ' HA ' ' HE1' ' B' ' 70' ' ' MET . 1.2 m -63.88 -46.05 86.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.87 178.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -66.54 -42.65 86.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.138 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -59.8 -37.14 78.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.05 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.721 HD23 HD12 ' B' ' 97' ' ' LEU . 49.0 mt -61.56 -42.23 98.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.903 177.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.51 -37.92 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.992 0.425 . . . . 0.0 110.358 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -63.35 -52.25 62.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.214 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . 0.455 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 29.3 p -68.78 -37.63 79.45 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.941 -177.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.09 -43.89 97.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.965 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' SER . . . . . 0.489 ' HB2' ' HE2' ' B' ' 37' ' ' MET . 41.2 t -65.72 -41.51 92.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.455 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 1.2 ptm180 -83.18 -6.46 59.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.762 -175.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.479 ' OG ' HG11 ' B' ' 31' ' ' VAL . 97.0 p -80.6 -42.13 22.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.132 0.491 . . . . 0.0 110.312 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.57 4.81 87.37 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.266 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.712 HG13 HD13 ' B' ' 32' ' ' LEU . 11.3 p -88.53 -22.0 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.628 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.712 HD13 HG13 ' B' ' 31' ' ' VAL . 6.5 mp -95.36 151.41 19.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 175.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 73.2 p -93.41 171.96 8.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.403 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.82 -31.78 71.17 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.725 0.298 . . . . 0.0 110.547 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.97 -58.6 7.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.815 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.574 ' HB3' HG12 ' B' ' 77' ' ' VAL . 48.7 mt-30 -60.96 -39.79 90.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' MET . . . . . 0.489 ' HE2' ' HB2' ' B' ' 27' ' ' SER . 81.4 mmm -67.05 -30.91 71.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.847 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.465 ' OD2' ' HE1' ' A' ' 61' ' ' HIS . 27.4 t70 -73.41 -36.03 65.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -66.99 -43.85 81.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.905 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.415 ' O ' ' HB3' ' B' ' 43' ' ' MET . 72.5 mmm -57.64 -42.89 84.34 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.281 0.562 . . . . 0.0 110.237 173.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.67 -40.17 97.28 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.18 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 50.9 ttp -63.37 -34.06 76.89 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-O 120.769 0.319 . . . . 0.0 110.434 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' MET . . . . . 0.487 ' O ' HG22 ' B' ' 47' ' ' VAL . 41.0 ttp -59.02 -50.3 74.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.038 0.447 . . . . 0.0 110.453 175.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.25 83.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.741 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -68.78 -43.29 76.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.619 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.642 ' HB3' ' OE1' ' A' ' 50' ' ' GLN . 12.5 p -62.29 -47.77 82.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.065 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.487 HG22 ' O ' ' B' ' 43' ' ' MET . 38.3 t -59.01 -40.92 81.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.936 0.398 . . . . 0.0 110.284 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -65.32 -47.59 76.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.422 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 53.2 m -65.19 -46.64 79.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.172 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -66.22 -32.14 73.38 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.142 -0.223 . . . . 0.0 111.182 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.408 ' HB2' ' O ' ' B' ' 47' ' ' VAL . 4.5 tmm? -57.49 -53.0 63.08 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.062 0.458 . . . . 0.0 110.623 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -73.13 -19.64 61.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.217 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -74.39 -27.92 60.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.211 173.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.5 mtm -83.41 -38.3 22.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.835 0.35 . . . . 0.0 110.632 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.67 -130.92 10.52 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.531 -0.842 . . . . 0.0 113.531 171.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.0 117.39 5.12 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 123.02 2.48 . . . . 0.0 112.989 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 15.1 m120 49.51 78.69 0.39 Allowed Pre-proline 0 N--CA 1.466 0.374 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.509 177.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -54.96 148.1 48.99 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.649 2.232 . . . . 0.0 113.792 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -69.13 123.94 10.83 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.419 2.746 . . . . 0.0 111.668 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.492 ' HA ' ' CG ' ' B' ' 63' ' ' LEU . 4.2 pt20 -72.53 -6.54 44.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -176.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.814 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 33.9 p80 -75.19 -34.24 61.5 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.233 170.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.436 ' HD3' ' SD ' ' A' ' 42' ' ' MET . 72.9 mtt180 -72.68 -28.56 62.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 173.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.492 ' CG ' ' HA ' ' B' ' 60' ' ' GLN . 89.6 mt -67.0 -41.58 86.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.663 175.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.814 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 21.3 ptt180 -61.76 -36.72 81.85 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.911 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -68.34 -42.37 79.39 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.484 177.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.494 ' HA ' ' HB2' ' B' ' 69' ' ' ALA . 96.7 mmm -71.53 -24.52 61.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.34 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -54.11 -55.36 28.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.175 0.512 . . . . 0.0 110.218 174.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.505 HG22 ' HB2' ' A' ' 72' ' ' ALA . 84.8 m -76.33 -24.32 54.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.817 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' B' ' 73' ' ' GLU . . . -62.76 -55.27 28.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.76 0.314 . . . . 0.0 110.154 174.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' MET . . . . . 0.466 ' HE1' ' HA ' ' B' ' 19' ' ' THR . 19.5 ttt -57.78 -46.86 83.99 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.653 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.5 92.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.199 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.498 ' HB2' HG23 ' A' ' 68' ' ' THR . . . -71.4 -33.82 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.328 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' B' ' 69' ' ' ALA . 9.1 mm-40 -61.8 -50.47 72.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.682 0.277 . . . . 0.0 110.272 177.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.479 ' O ' HG21 ' B' ' 78' ' ' VAL . 88.8 t -58.28 -46.01 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.275 176.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.53 96.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.187 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.507 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 6.3 tp10 -62.69 -45.2 93.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.902 0.382 . . . . 0.0 110.23 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.574 HG12 ' HB3' ' B' ' 36' ' ' GLN . 67.7 t -59.03 -38.44 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.202 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.48 HG22 HG12 ' B' ' 89' ' ' VAL . 59.3 t -80.59 -45.07 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.407 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.24 -43.33 82.2 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 7.6 m -85.66 69.47 10.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.465 0.65 . . . . 0.0 110.185 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 15.5 m -136.93 164.17 44.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.336 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.47 144.35 73.75 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.062 1.841 . . . . 0.0 110.983 173.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.72 -16.25 53.63 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.449 2.099 . . . . 0.0 112.136 -173.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -91.18 -6.97 52.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.162 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -121.79 -15.07 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.474 -174.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -47.74 -64.68 0.72 Allowed 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 49.7 m -64.85 -26.41 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.643 -175.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.68 -48.79 63.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.001 0.429 . . . . 0.0 110.294 178.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.48 HG12 HG22 ' B' ' 78' ' ' VAL . 59.1 t -64.22 -40.74 90.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.869 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.31 -52.38 65.58 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.909 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -57.84 -39.43 77.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.035 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 59.8 m -64.28 -48.42 75.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.616 -177.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . 0.418 HD11 ' HA ' ' B' ' 93' ' ' ILE . 1.8 mm -65.78 -46.47 88.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.238 178.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.59 -39.21 96.17 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.702 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.26 -40.28 67.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.719 0.295 . . . . 0.0 110.959 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 48.9 t -69.58 -33.31 72.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.799 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.721 HD12 HD23 ' B' ' 22' ' ' LEU . 0.8 OUTLIER -50.66 -45.33 57.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.405 177.837 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.484 ' HG3' HG21 ' B' ' 108' ' ' VAL . 58.2 ttt180 -62.87 -43.04 99.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.627 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.66 -49.74 50.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 73.2 m -51.38 -43.45 61.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.644 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.526 ' HE3' HG12 ' B' ' 8' ' ' ILE . 10.7 mmt -64.97 -46.67 80.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.034 0.445 . . . . 0.0 110.912 177.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 25.4 ttm -68.96 -27.48 65.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.541 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -93.66 -6.5 46.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.566 0.222 . . . . 0.0 111.278 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.13 -48.4 5.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.771 0.319 . . . . 0.0 111.132 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.43 HG22 ' CG2' ' B' ' 8' ' ' ILE . 74.4 p -108.23 -38.3 5.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.398 0.618 . . . . 0.0 110.945 -178.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.78 -21.97 5.53 Favored Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.171 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 17.9 m -130.74 159.88 35.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.484 HG21 ' HG3' ' B' ' 98' ' ' ARG . 5.8 p -100.05 121.24 50.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.151 0.501 . . . . 0.0 111.538 -177.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.11 137.23 34.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.15 173.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -94.7 -23.06 17.73 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.356 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.83 -55.59 28.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.798 0.332 . . . . 0.0 110.738 -175.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . 0.441 ' O ' HG22 ' B' ' 116' ' ' VAL . 83.2 t80 -66.19 -44.13 84.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.335 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.525 HG23 ' HB3' ' B' ' 97' ' ' LEU . 46.6 m -59.66 -46.65 88.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.31 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -66.81 -40.41 88.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -57.45 -47.92 80.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.764 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.441 HG22 ' O ' ' B' ' 112' ' ' PHE . 58.2 t -60.0 -37.31 71.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.066 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.573 ' HA ' ' HE2' ' B' ' 117' ' ' MET . 17.7 mmt -68.71 -38.91 80.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 -177.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -75.12 -35.56 61.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.42 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.479 HD23 ' HE2' ' A' ' 122' ' ' MET . 13.3 mt -59.22 -51.71 68.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.113 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 p -65.72 -31.1 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.617 -174.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -69.38 -40.51 77.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.085 0.469 . . . . 0.0 110.337 177.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.486 ' HE3' HD22 ' A' ' 119' ' ' LEU . 47.9 ttp -72.0 -42.66 66.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.784 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.11 -27.67 69.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.818 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 32.1 t -98.93 6.26 46.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.389 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -146.12 89.63 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.466 -0.494 . . . . 0.0 112.062 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -85.44 106.81 17.07 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 172.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 19.7 m -87.77 99.35 12.03 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.433 -173.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -169.36 77.16 0.1 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.987 177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -71.8 160.71 32.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.869 177.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -80.43 81.5 6.67 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.255 0.55 . . . . 0.0 111.839 -173.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 19.0 m -84.48 -30.06 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.448 174.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 23.7 m -117.61 125.1 50.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.04 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--O 1.253 1.279 0 CA-C-O 119.286 -0.388 . . . . 0.0 110.017 177.551 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.438 ' O ' ' HB3' ' A' ' 107' ' ' SER . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 112.187 -0.365 . . . . 0.0 112.187 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.2 m -156.79 134.95 11.2 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.467 ' O ' ' HB3' ' A' ' 110' ' ' ASN . . . 100.69 -34.01 5.93 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.039 -175.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -175.26 148.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 171.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 m -152.54 -178.83 7.1 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -89.28 138.1 28.91 Favored Pre-proline 0 C--N 1.315 -0.935 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 9' ' ' TRP . 81.2 Cg_exo -40.3 120.25 0.85 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.34 2.693 . . . . 0.0 112.965 -177.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.516 HG12 ' HE2' ' A' ' 101' ' ' MET . 7.4 pt -73.44 12.88 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.018 -174.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.43 ' HA ' ' HB1' ' A' ' 15' ' ' ALA . 60.4 m95 -80.66 10.47 4.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.871 -177.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 m -64.08 -29.94 71.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.509 0.671 . . . . 0.0 109.24 172.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -115.03 116.25 42.64 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.872 175.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -69.46 -21.15 35.31 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.832 2.354 . . . . 0.0 112.471 -174.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -85.61 -44.11 12.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.054 0.454 . . . . 0.0 109.792 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.19 -41.61 94.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.43 ' HB1' ' HA ' ' A' ' 9' ' ' TRP . . . -64.43 -40.49 95.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.389 177.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 40.9 ttm -63.24 -27.15 69.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.419 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.1 m -65.18 -40.59 94.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.268 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.428 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -62.32 -40.66 97.07 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.477 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.475 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 1.7 m -61.64 -46.34 90.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.874 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -70.31 -40.14 74.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.219 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -59.44 -36.89 76.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.619 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.808 HD23 HD11 ' A' ' 97' ' ' LEU . 40.0 mt -60.34 -48.08 83.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.784 176.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.82 -42.41 92.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.704 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -63.54 -43.42 97.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.726 177.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.504 ' HA ' ' CD ' ' A' ' 28' ' ' ARG . 19.4 t -69.21 -36.97 77.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.875 -178.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.36 -38.61 81.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.154 0.502 . . . . 0.0 110.612 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.6 t -67.81 -38.94 83.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.118 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.504 ' CD ' ' HA ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER -76.78 -17.83 58.8 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.994 -177.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 p -90.17 -49.24 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.712 0.291 . . . . 0.0 110.554 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.83 22.39 64.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.032 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.424 HG12 HG21 ' A' ' 89' ' ' VAL . 11.5 t -81.72 -25.33 9.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.238 0.542 . . . . 0.0 110.159 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD12 ' N ' ' A' ' 32' ' ' LEU . 5.8 mp -90.25 156.41 18.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.726 -176.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.8 p -86.74 178.67 6.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.734 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.06 97.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.09 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.501 ' OD1' ' HB3' ' B' ' 61' ' ' HIS . 17.8 t70 -64.99 -39.82 94.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.509 -178.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.403 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 55.1 mt-30 -66.97 -46.88 73.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 177.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 83.7 mmm -64.77 -41.74 95.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.64 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -65.71 -32.37 73.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.007 0.432 . . . . 0.0 110.207 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.74 -46.58 78.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.242 0.544 . . . . 0.0 109.816 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.433 ' HE2' ' HB3' ' A' ' 22' ' ' LEU . 43.8 mmm -59.3 -39.38 82.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.338 175.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.45 -49.01 73.26 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.576 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.4 ptt? -70.81 -23.62 62.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.962 0.381 . . . . 0.0 110.225 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 43.5 ttp -59.69 -53.57 56.5 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.082 0.468 . . . . 0.0 109.852 174.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.07 92.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.783 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.61 -37.94 89.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.3 m -60.62 -44.96 95.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.9 t -67.61 -40.96 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.341 0.591 . . . . 0.0 110.241 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.401 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 44.1 t-20 -63.25 -46.67 85.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.922 -178.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.448 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 13.2 p -64.72 -45.21 87.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.525 -175.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.541 ' HB3' ' HE2' ' A' ' 54' ' ' MET . 61.8 mt-30 -59.01 -44.98 91.77 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.782 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -55.37 -46.22 76.51 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.773 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 45.1 mt-30 -69.25 -34.25 74.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.23 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 49' ' ' SER . 26.3 mtpp -72.7 -39.03 67.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.186 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.661 ' SD ' ' HD3' ' A' ' 62' ' ' ARG . 74.2 mtm -75.98 -41.29 51.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 178.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.97 -150.34 21.43 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.463 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.18 142.27 27.13 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.724 2.283 . . . . 0.0 112.16 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.8 m120 61.15 72.64 0.67 Allowed Pre-proline 0 N--CA 1.467 0.4 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.391 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -87.52 161.71 8.04 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.981 2.454 . . . . 0.0 112.143 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.42 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 28.0 Cg_endo -63.16 123.14 11.66 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.902 2.401 . . . . 0.0 111.869 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.491 ' HA ' ' OE1' ' A' ' 60' ' ' GLN . 13.4 mm-40 -65.57 -29.13 69.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.95 -174.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -69.08 -26.41 64.93 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.077 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.661 ' HD3' ' SD ' ' A' ' 54' ' ' MET . 59.2 ttt180 -76.02 -30.74 58.59 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.488 HD12 ' OE1' ' A' ' 60' ' ' GLN . 67.2 mt -71.64 -36.08 70.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.514 173.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.718 HH11 ' HG2' ' A' ' 64' ' ' ARG . 22.5 ttp85 -57.97 -43.48 86.5 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.08 171.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.606 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -62.19 -47.94 82.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.61 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.451 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 99.1 mmm -68.88 -21.66 64.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.464 -176.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -58.82 -50.0 75.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.108 0.48 . . . . 0.0 110.233 172.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.457 HG22 ' HB3' ' B' ' 72' ' ' ALA . 6.2 m -69.97 -38.43 76.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.303 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.68 -50.31 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.22 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.475 ' HE3' ' HA ' ' A' ' 19' ' ' THR . 19.7 ttt -59.82 -45.74 91.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.23 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.87 95.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.172 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.47 94.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.801 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.593 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 16.8 mm-40 -60.63 -54.88 40.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.561 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 78' ' ' VAL . 61.1 t -55.12 -44.54 74.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.966 0.412 . . . . 0.0 110.723 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.72 92.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.473 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.593 ' HG3' ' O ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -71.53 -28.13 63.67 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.343 -178.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.499 HG21 ' O ' ' A' ' 73' ' ' GLU . 44.1 t -62.14 -48.14 89.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 172.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 74' ' ' VAL . 67.6 t -66.02 -42.37 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.011 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.24 -26.92 68.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.713 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.7 m -87.28 76.37 9.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.191 0.52 . . . . 0.0 110.232 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.5 p -160.67 164.12 19.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.674 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -62.0 137.04 64.63 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.254 1.97 . . . . 0.0 110.98 173.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.07 -13.01 37.92 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.619 2.213 . . . . 0.0 112.373 -172.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -82.32 -14.7 54.92 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.934 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.0 t -126.51 2.76 6.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.135 0.493 . . . . 0.0 110.491 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -59.52 -41.55 90.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.163 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 t -67.17 -34.22 77.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.277 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.43 65.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.545 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.424 HG21 HG12 ' A' ' 31' ' ' VAL . 48.0 t -62.02 -42.88 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.302 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.72 -53.02 62.5 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.68 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -57.92 -35.74 71.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.962 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.5 m -64.27 -54.6 30.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.376 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.432 HG22 HD13 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -60.0 -43.16 91.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.894 177.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.09 -41.95 94.86 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.188 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.22 68.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.692 0.282 . . . . 0.0 110.803 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.419 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 73.1 m -65.23 -29.59 70.4 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.171 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.808 HD11 HD23 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -56.69 -47.16 80.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.142 0.496 . . . . 0.0 110.265 176.344 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 98' ' ' ARG . 33.5 ttt180 -59.43 -51.57 69.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.998 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.419 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 7.3 pt-20 -75.89 -27.19 57.61 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -175.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.8 m -61.2 -41.68 97.25 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.252 175.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.516 ' HE2' HG12 ' A' ' 8' ' ' ILE . 20.1 mmt -67.39 -40.34 85.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.078 176.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.475 ' HE2' HG22 ' A' ' 108' ' ' VAL . 46.8 tpp -61.75 -39.86 93.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.211 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 15.5 mm100 -79.79 -25.92 40.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.75 0.309 . . . . 0.0 111.051 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.43 -64.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -176.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 61.4 p -96.29 -25.9 15.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.91 0.386 . . . . 0.0 110.919 -175.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.3 4.2 58.49 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -175.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.438 ' HB3' ' O ' ' A' ' 1' ' ' GLY . 50.2 m -138.54 144.3 39.84 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.475 HG22 ' HE2' ' A' ' 102' ' ' MET . 58.7 t -88.54 104.48 14.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.797 0.332 . . . . 0.0 111.25 -178.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -80.99 131.18 35.29 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 170.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.467 ' HB3' ' O ' ' A' ' 3' ' ' GLY . 8.0 t30 -106.91 -4.9 18.65 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.87 -53.39 18.26 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.412 ' O ' HG22 ' A' ' 116' ' ' VAL . 85.4 t80 -66.02 -42.01 90.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.156 175.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.526 ' HA ' HD23 ' A' ' 97' ' ' LEU . 69.2 m -58.53 -48.8 79.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.55 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -65.92 -38.7 89.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.758 0.314 . . . . 0.0 110.283 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.3 -46.87 76.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.597 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 112' ' ' PHE . 61.2 t -64.58 -34.79 72.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.585 ' HE3' ' HA ' ' A' ' 117' ' ' MET . 28.3 mmt -70.32 -34.68 72.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.135 -177.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -74.05 -39.43 63.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.96 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.467 ' CD2' ' HE3' ' B' ' 122' ' ' MET . 12.4 mt -58.09 -54.99 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.098 178.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.52 -30.76 50.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.391 -174.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -74.47 -34.78 63.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.694 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.452 ' HE1' HD23 ' B' ' 119' ' ' LEU . 43.6 ttp -66.51 -43.03 86.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.758 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -67.76 -21.99 65.23 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.967 0.413 . . . . 0.0 110.851 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.9 t -95.26 3.33 54.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.402 -176.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -135.8 96.13 3.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.011 0.434 . . . . 0.0 111.166 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -81.5 122.21 27.26 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.234 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 27.6 p -78.38 80.0 4.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.441 0.638 . . . . 0.0 110.777 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -101.79 18.93 19.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.248 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -76.52 94.87 3.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.987 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.55 154.77 20.4 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.056 0.455 . . . . 0.0 110.943 -177.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 15.4 m -129.55 23.92 2.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.441 175.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 17.0 m -82.34 92.74 7.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.726 -175.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.956 176.793 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.506 0 N-CA-C 111.983 -0.447 . . . . 0.0 111.983 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.538 ' HA ' ' HB ' ' B' ' 108' ' ' VAL . 14.7 m -114.27 114.59 26.16 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.88 -105.4 0.2 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.907 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -135.36 147.89 49.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.064 0.459 . . . . 0.0 110.035 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 40.9 m -137.29 176.91 8.28 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -84.82 143.79 41.03 Favored Pre-proline 0 C--N 1.314 -0.956 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 173.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -35.01 111.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.818 3.012 . . . . 0.0 113.38 -174.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.522 HG12 ' HE3' ' B' ' 101' ' ' MET . 1.4 pt -68.28 -1.23 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.708 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . 0.755 ' HA ' ' HB1' ' B' ' 15' ' ' ALA . 49.6 m95 -75.43 10.39 1.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.379 178.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.7 m -57.33 -34.14 68.45 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.395 0.617 . . . . 0.0 110.162 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.485 ' HB2' ' HB3' ' B' ' 14' ' ' ALA . 2.3 m-20 -113.82 124.32 31.3 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 171.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -64.44 -32.43 60.16 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.639 2.226 . . . . 0.0 112.441 -175.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -81.5 -39.8 24.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.838 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.485 ' HB3' ' HB2' ' B' ' 11' ' ' ASN . . . -63.95 -42.33 97.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.689 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.755 ' HB1' ' HA ' ' B' ' 9' ' ' TRP . . . -65.83 -41.4 91.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.134 0.493 . . . . 0.0 110.685 176.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 47.4 ttm -61.03 -25.96 67.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.83 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 42.2 m -64.08 -39.59 94.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.195 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 1.044 ' HE3' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -62.55 -43.95 97.54 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.013 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -62.63 -44.01 97.37 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -71.31 -45.8 62.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.731 -177.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -65.05 -30.51 71.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.756 0.312 . . . . 0.0 110.519 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.777 HD12 HD11 ' B' ' 97' ' ' LEU . 12.8 tp -59.45 -47.58 84.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.205 177.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.503 HG21 ' HB3' ' B' ' 40' ' ' MET . 61.9 t -64.79 -40.81 90.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.545 178.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -63.53 -36.48 83.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.086 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 49.3 t -69.09 -40.27 78.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.878 0.371 . . . . 0.0 110.364 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.69 -33.93 74.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.517 0.675 . . . . 0.0 110.67 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 34.3 t -67.59 -34.95 78.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.325 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -89.13 -10.71 46.23 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 18.1 p -89.58 -41.92 11.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.014 0.435 . . . . 0.0 110.195 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.79 18.87 79.68 Favored Glycine 0 C--N 1.33 0.218 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.117 174.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.0 t -78.95 -28.97 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.367 0.603 . . . . 0.0 110.292 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.467 ' N ' HD12 ' B' ' 32' ' ' LEU . 6.0 mp -86.47 156.57 20.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.01 -173.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 55.0 p -86.94 177.85 7.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.749 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.23 96.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.61 -47.06 85.42 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.24 0.543 . . . . 0.0 109.882 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.626 ' HB3' HG12 ' B' ' 77' ' ' VAL . 53.0 mt-30 -63.65 -47.9 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.149 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 82.3 mmm -65.49 -38.91 91.15 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -70.45 -30.27 67.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.831 0.348 . . . . 0.0 110.261 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.445 ' HB3' HG22 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -65.33 -43.73 90.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.572 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.575 ' HE3' ' HG ' ' B' ' 22' ' ' LEU . 63.3 mmm -61.81 -47.61 84.33 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.697 176.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.91 -41.06 99.61 Favored Glycine 0 C--N 1.331 0.265 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.052 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -61.4 -42.98 99.59 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.725 0.298 . . . . 0.0 110.508 176.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' MET . . . . . 0.515 ' O ' HG21 ' B' ' 47' ' ' VAL . 47.3 ttp -52.71 -54.0 39.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.79 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.35 79.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.337 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.32 -39.03 71.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.005 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -66.56 -37.85 85.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.885 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' B' ' 51' ' ' MET . 42.6 t -65.79 -40.48 87.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -65.15 -53.15 49.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.186 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 13.1 p -62.89 -41.18 99.32 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.824 -175.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -64.03 -32.81 74.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.576 0.227 . . . . 0.0 111.06 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' B' ' 47' ' ' VAL . 83.4 mmm -75.41 -25.4 57.55 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.771 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -69.07 -37.4 78.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.232 0.539 . . . . 0.0 109.81 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -66.35 -50.31 64.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.894 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.6 mtm -87.17 -39.51 15.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.86 -173.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.4 -164.68 43.91 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.126 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -69.59 155.84 65.4 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.584 2.189 . . . . 0.0 112.125 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 10.2 m120 61.61 74.47 0.5 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.881 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . 0.4 ' HB2' ' HD2' ' B' ' 59' ' ' PRO . 74.0 Cg_endo -96.78 178.94 0.49 Allowed 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.439 2.76 . . . . 0.0 110.96 173.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.651 ' O ' ' HB3' ' B' ' 62' ' ' ARG . 19.4 Cg_endo -63.62 147.43 92.85 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 121.653 1.568 . . . . 0.0 110.996 172.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -65.91 -37.28 85.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.784 0.326 . . . . 0.0 111.607 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.501 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 13.9 p80 -66.92 -20.92 65.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.636 0.255 . . . . 0.0 110.672 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.651 ' HB3' ' O ' ' B' ' 59' ' ' PRO . 20.6 tpt180 -58.03 -45.22 87.3 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.454 HD13 ' O ' ' B' ' 9' ' ' TRP . 49.6 mt -73.06 -40.2 65.26 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.976 178.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.491 ' HB3' ' HA ' ' B' ' 61' ' ' HIS . 57.7 ttp85 -56.17 -46.76 79.22 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.454 178.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.411 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -75.0 -44.21 49.45 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -176.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 99.4 mmm -62.1 -26.91 68.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.173 -176.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -55.55 -51.52 66.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.107 0.48 . . . . 0.0 109.901 172.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.454 HG23 ' HB3' ' A' ' 76' ' ' GLU . 7.5 m -69.21 -39.03 78.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.698 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -58.75 -50.24 74.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.99 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' MET . . . . . 0.413 ' HE3' ' SD ' ' B' ' 18' ' ' MET . 21.9 ttt -58.72 -45.71 88.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.193 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . 0.406 ' HB2' HG21 ' B' ' 116' ' ' VAL . . . -60.82 -45.37 94.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.402 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.457 ' HB3' HG22 ' A' ' 68' ' ' THR . . . -64.8 -37.34 87.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.553 ' O ' ' HG2' ' B' ' 76' ' ' GLU . 45.6 mt-10 -63.94 -39.59 94.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.901 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.82 -44.3 85.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.99 0.424 . . . . 0.0 110.955 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.42 99.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.54 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.606 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 17.3 pt-20 -64.15 -35.78 81.88 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.626 HG12 ' HB3' ' B' ' 36' ' ' GLN . 46.7 t -60.99 -46.45 96.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.316 177.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 56.9 t -65.9 -43.81 92.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.886 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.53 -25.98 66.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.987 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 21.8 m -86.57 73.77 10.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.445 0.64 . . . . 0.0 110.505 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 78.8 p -162.96 159.86 18.95 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.288 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . 0.428 ' HB2' ' HG2' ' B' ' 84' ' ' GLN . 26.6 Cg_exo -63.55 147.03 93.27 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.223 1.948 . . . . 0.0 110.959 174.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -55.65 -31.74 80.72 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.61 2.206 . . . . 0.0 112.047 -175.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.428 ' HG2' ' HB2' ' B' ' 82' ' ' PRO . 20.8 pt20 -62.71 -28.3 69.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.555 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.409 ' O ' HG22 ' B' ' 89' ' ' VAL . 12.3 p -112.24 -8.7 13.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.531 -177.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -55.45 -51.31 67.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.832 -176.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 7.7 t -67.71 -35.26 78.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.938 0.399 . . . . 0.0 110.017 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.63 69.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.918 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.409 HG22 ' O ' ' B' ' 85' ' ' SER . 98.7 t -61.39 -41.16 88.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.137 0.494 . . . . 0.0 110.17 178.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.61 -52.43 65.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.448 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.63 -33.31 73.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.913 -179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 70.6 m -64.7 -56.48 13.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.17 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.8 OUTLIER -59.39 -44.45 92.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 179.478 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.0 -32.1 62.21 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 121.291 -0.48 . . . . 0.0 112.82 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.98 -39.2 20.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.688 0.28 . . . . 0.0 110.927 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' CYS . . . . . 0.491 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 72.3 m -63.77 -34.82 78.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.601 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 1.044 ' HG ' ' HE3' ' B' ' 18' ' ' MET . 5.9 mp -60.15 -43.42 95.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.99 0.424 . . . . 0.0 110.732 178.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -59.56 -46.84 87.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.98 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.491 ' HG2' ' HA ' ' B' ' 96' ' ' CYS . 12.3 pt-20 -75.29 -32.9 61.14 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.444 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 54.9 m -63.0 -37.75 88.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.612 0.244 . . . . 0.0 110.531 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.522 ' HE3' HG12 ' B' ' 8' ' ' ILE . 20.5 mmt -67.34 -42.21 83.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.956 0.407 . . . . 0.0 110.268 176.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.434 ' HE3' HG23 ' B' ' 108' ' ' VAL . 51.1 tpp -60.31 -37.09 79.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.849 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -89.64 -4.09 57.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.88 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -105.96 -56.81 2.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.784 0.326 . . . . 0.0 111.435 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 75.3 p -101.6 -31.5 10.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.135 0.493 . . . . 0.0 110.9 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.32 -0.37 40.51 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.495 -176.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.2 m -135.33 161.0 36.64 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.538 ' HB ' ' HA ' ' B' ' 2' ' ' SER . 89.8 t -103.33 105.69 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.88 0.372 . . . . 0.0 111.212 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -88.05 115.64 25.66 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 171.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -95.66 -0.86 51.18 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.961 0.41 . . . . 0.0 110.005 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.07 -51.77 35.35 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -64.77 -47.92 76.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.798 175.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.546 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 20.2 m -53.39 -44.51 68.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.567 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -70.02 -35.74 74.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.666 0.27 . . . . 0.0 110.683 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -57.33 -44.99 84.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.272 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.464 HG22 HD22 ' B' ' 97' ' ' LEU . 59.3 t -63.31 -34.78 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.966 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.565 ' HA ' ' HE3' ' B' ' 117' ' ' MET . 29.5 mmt -68.78 -37.18 79.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.077 -178.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -71.92 -41.89 67.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.358 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.452 HD23 ' HE1' ' A' ' 122' ' ' MET . 13.2 mt -55.99 -51.58 67.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.342 178.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.34 -28.1 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.631 -174.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' B' ' 117' ' ' MET . 68.9 mttm -76.08 -36.44 58.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.809 0.338 . . . . 0.0 110.323 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.467 ' HE3' ' CD2' ' A' ' 119' ' ' LEU . 43.5 ttp -64.29 -39.08 93.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.566 178.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.98 -24.62 64.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.215 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 16.6 t -92.58 0.76 57.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.201 0.524 . . . . 0.0 110.591 -177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -86.54 95.32 9.69 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.052 0.453 . . . . 0.0 110.775 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -89.89 21.56 3.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.132 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 6.4 p -89.2 83.65 6.5 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.515 0.674 . . . . 0.0 111.051 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -110.43 35.92 3.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.45 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -58.53 128.09 35.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.884 -177.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.23 116.49 25.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.987 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 29.8 m -80.94 14.48 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.957 -175.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 14.6 m -65.94 96.99 0.33 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.124 0.487 . . . . 0.0 110.001 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.252 1.21 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.447 -176.12 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -132.85 169.49 16.67 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.63 50.84 3.9 Favored Glycine 0 CA--C 1.517 0.157 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.27 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -131.9 104.27 6.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.854 0.359 . . . . 0.0 110.835 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.6 m -95.81 103.49 15.38 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 174.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.458 ' HB2' ' HD2' ' A' ' 7' ' ' PRO . 13.0 pt20 -156.09 160.94 30.43 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.055 -175.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 6' ' ' GLN . 17.9 Cg_endo -60.09 156.09 41.49 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.59 2.193 . . . . 0.0 112.17 176.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.413 HG23 HG22 ' A' ' 105' ' ' THR . 11.8 pt -78.0 10.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.086 -175.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -80.77 72.3 7.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.478 0.656 . . . . 0.0 111.85 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.7 p -117.88 -26.22 6.54 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.51 170.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -128.73 131.53 23.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.983 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.586 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 12.5 Cg_exo -63.67 -43.21 17.6 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.631 2.221 . . . . 0.0 112.231 -178.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -67.12 -38.39 85.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.943 0.401 . . . . 0.0 110.742 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.36 99.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.542 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.69 76.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.902 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.439 ' CE ' ' HA ' ' A' ' 48' ' ' ASN . 43.5 ttm -58.04 -33.06 68.58 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.1 m -61.42 -37.37 83.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.97 0.414 . . . . 0.0 110.281 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.84 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -67.51 -41.99 83.57 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 176.103 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.42 ' HA ' ' HE1' ' A' ' 70' ' ' MET . 1.1 m -62.19 -42.27 99.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.006 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -68.91 -48.42 63.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.727 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -59.97 -33.56 72.1 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.075 0.464 . . . . 0.0 110.599 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.508 HD13 HD12 ' A' ' 97' ' ' LEU . 16.6 tp -64.58 -33.02 74.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.071 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.9 t -77.4 -39.85 28.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.3 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 51.6 mt-30 -58.97 -44.62 91.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.783 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 24.1 p -68.91 -40.75 78.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.357 . . . . 0.0 110.603 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB2' HD13 ' A' ' 32' ' ' LEU . . . -62.16 -40.69 96.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.366 0.603 . . . . 0.0 110.678 178.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.4 t -61.93 -43.61 98.48 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.552 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.4 ptp180 -85.04 -27.26 26.5 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.408 ' HG ' ' HA ' ' A' ' 26' ' ' ALA . 37.4 p -65.05 -40.04 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.367 . . . . 0.0 110.503 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.45 6.76 88.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.538 173.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.919 HG23 HD11 ' A' ' 32' ' ' LEU . 6.5 m -77.42 -18.45 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 117.103 0.451 . . . . 0.0 111.277 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.919 HD11 HG23 ' A' ' 31' ' ' VAL . 5.7 mp -101.61 150.04 23.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.425 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.2 p -86.62 177.77 7.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.727 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.75 -32.92 74.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.98 0.419 . . . . 0.0 110.587 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.77 -52.9 54.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.863 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.428 ' HB3' HD23 ' A' ' 32' ' ' LEU . 52.8 mt-30 -61.9 -38.74 89.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.166 -177.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.7 mmm -65.58 -33.78 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.83 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.439 ' HB3' ' CE1' ' B' ' 61' ' ' HIS . 39.1 t70 -82.12 -25.12 34.69 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.31 178.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.531 ' O ' ' HG2' ' A' ' 42' ' ' MET . 74.8 m-20 -63.21 -51.34 66.69 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.511 ' O ' ' HB3' ' A' ' 43' ' ' MET . 84.5 mtp -67.71 -23.75 65.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.2 174.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.91 -46.23 92.11 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.991 -0.623 . . . . 0.0 111.751 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 22.5 ptt? -71.76 -20.79 61.83 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.208 178.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.511 ' HB3' ' O ' ' A' ' 40' ' ' MET . 49.7 ttp -59.45 -54.0 51.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.171 0.51 . . . . 0.0 110.1 171.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.36 74.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.526 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -71.57 -39.26 70.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.615 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 p -66.3 -38.57 88.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.649 0.262 . . . . 0.0 110.75 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 43' ' ' MET . 21.8 t -66.66 -39.46 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.343 0.592 . . . . 0.0 110.031 175.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.439 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 43.0 t-20 -68.51 -48.96 63.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.065 -178.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.456 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 12.4 p -60.52 -36.84 79.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -177.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.57 ' HB3' ' HE2' ' A' ' 54' ' ' MET . 49.1 mt-30 -60.42 -39.33 87.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.256 176.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.586 ' SD ' ' HB2' ' A' ' 12' ' ' PRO . 57.3 mtp -68.89 -29.09 67.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.72 0.295 . . . . 0.0 110.687 178.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -75.38 -31.89 60.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.224 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 49' ' ' SER . 72.4 mmtt -73.43 -52.24 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.658 177.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.57 ' HE2' ' HB3' ' A' ' 50' ' ' GLN . 72.9 mtm -82.13 -78.78 0.19 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.342 -177.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.87 -152.01 21.97 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.308 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -85.84 -0.65 8.67 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.147 2.565 . . . . 0.0 113.646 -175.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -138.3 68.25 47.07 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-O 120.882 0.372 . . . . 0.0 110.833 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -84.24 163.23 13.2 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.992 2.461 . . . . 0.0 112.77 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.41 137.19 42.35 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.585 2.19 . . . . 0.0 111.811 176.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -65.8 -37.94 87.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.848 -176.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.473 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 21.6 p80 -63.12 -25.88 68.56 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.941 0.4 . . . . 0.0 110.916 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.671 ' HG3' ' SD ' ' B' ' 42' ' ' MET . 32.1 ttm180 -68.33 -36.88 79.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.36 -34.37 74.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.803 175.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.677 ' HD2' HG23 ' B' ' 80' ' ' THR . 30.5 ttp85 -56.38 -45.97 80.28 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.507 174.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.459 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -72.36 -38.0 68.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 89.8 mmm -64.35 -25.48 68.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.716 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -55.19 -49.81 70.96 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.301 0.376 . . . . 0.0 110.744 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.2 m -76.56 -30.33 57.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.936 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.48 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -58.71 -58.62 7.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.654 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.42 ' HE1' ' HA ' ' A' ' 19' ' ' THR . 18.5 ttt -58.82 -40.57 84.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.753 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.422 ' HB3' HG22 ' A' ' 116' ' ' VAL . . . -60.28 -48.76 80.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.451 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.466 ' HB1' ' OE2' ' A' ' 76' ' ' GLU . . . -71.92 -29.11 63.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.152 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 35.9 mt-10 -64.03 -18.01 63.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.783 -0.19 . . . . 0.0 110.952 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.4 t -92.86 -47.77 13.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.923 0.392 . . . . 0.0 110.765 173.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.33 -53.03 56.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.46 -174.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.578 ' HG2' ' HB ' ' B' ' 68' ' ' THR . 1.9 mp0 -61.46 -31.67 71.64 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.423 ' O ' HG21 ' A' ' 80' ' ' THR . 76.9 t -66.31 -35.27 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.161 0.505 . . . . 0.0 110.271 176.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.1 t -73.34 -43.14 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.715 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' A' ' 120' ' ' VAL . . . -74.16 -14.4 60.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -175.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.423 HG21 ' O ' ' A' ' 77' ' ' VAL . 6.0 t -90.26 1.93 55.98 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.046 0.45 . . . . 0.0 111.275 -176.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.6 p -88.4 163.53 36.04 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.524 -178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -58.75 159.87 19.48 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.717 2.278 . . . . 0.0 111.549 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.65 -27.77 69.05 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.163 1.909 . . . . 0.0 111.651 -175.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -78.68 -21.56 48.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.751 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.7 t -100.86 -23.48 14.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.315 -176.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -48.02 -61.28 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.599 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.3 m -60.72 -36.03 77.81 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.261 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.8 -45.26 83.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.738 0.304 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.4 t -72.15 -43.63 66.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.435 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -56.63 -51.04 70.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.449 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -59.05 -45.12 91.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.8 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.1 m -63.28 -49.51 73.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.993 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.464 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.2 mm -64.74 -49.56 79.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.782 178.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.43 -41.81 73.36 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.32 -0.467 . . . . 0.0 112.628 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.99 -39.14 66.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.66 0.267 . . . . 0.0 110.848 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 45.0 t -68.52 -30.52 69.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.831 -175.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.84 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 7.8 mp -60.07 -40.71 90.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.179 0.514 . . . . 0.0 110.184 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -63.77 -43.31 96.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.257 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 10.8 mm-40 -65.01 -52.17 57.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.338 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.0 m -57.35 -39.77 76.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.949 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 17.7 mmt -63.96 -40.69 96.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.995 0.426 . . . . 0.0 110.167 176.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.467 ' HE3' HG21 ' A' ' 108' ' ' VAL . 47.6 tpp -65.03 -32.17 73.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.846 177.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 81.6 mm-40 -82.69 -31.89 28.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.344 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.58 -61.55 1.77 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.836 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.413 HG22 HG23 ' A' ' 8' ' ' ILE . 62.5 p -98.68 -30.52 12.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.115 0.483 . . . . 0.0 111.103 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.86 4.47 57.84 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -176.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.8 m -136.26 132.51 35.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.467 HG21 ' HE3' ' A' ' 102' ' ' MET . 57.9 t -82.12 105.37 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.679 0.276 . . . . 0.0 110.873 -178.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -76.55 136.13 39.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.841 172.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -100.15 -19.0 16.66 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.355 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.59 74.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 111.107 -176.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -72.43 -48.81 38.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.202 178.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.522 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 14.8 m -55.89 -43.67 77.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.143 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.419 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 61.5 t30 -70.19 -39.59 75.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.997 0.427 . . . . 0.0 110.806 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.66 -45.83 88.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.102 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.48 ' HA ' HD11 ' A' ' 119' ' ' LEU . 58.1 t -61.41 -35.03 63.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.8 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.577 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 25.1 mmt -69.99 -41.73 74.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.006 -177.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 26.7 mm-40 -68.37 -36.75 79.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.585 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' ' 116' ' ' VAL . 27.9 mt -59.8 -51.89 67.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.086 177.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.441 HG22 ' HB3' ' A' ' 79' ' ' ALA . 12.1 p -70.63 -36.72 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.696 -175.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -69.92 -31.54 69.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.62 0.247 . . . . 0.0 110.642 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -66.19 -45.4 80.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.3 mt -73.38 -20.83 60.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.439 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.2 t -99.81 12.85 35.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.002 0.429 . . . . 0.0 110.349 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -92.62 25.43 3.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.217 0.532 . . . . 0.0 111.598 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -103.9 68.73 0.92 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.494 0.664 . . . . 0.0 109.666 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 36.7 m -112.28 130.84 55.8 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.382 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -132.01 39.38 3.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.143 0.497 . . . . 0.0 110.958 -174.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -90.53 103.3 16.01 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.57 120.17 20.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.452 0.644 . . . . 0.0 110.427 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 30.7 m -78.3 -13.4 13.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.882 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.1 m -65.05 103.92 0.81 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 174.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 7.8 m . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.234 -173.212 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.519 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -82.33 93.02 7.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.844 0.354 . . . . 0.0 110.207 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.59 -40.85 14.17 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.146 -0.549 . . . . 0.0 111.848 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -94.84 96.9 9.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.841 0.829 . . . . 0.0 110.1 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -98.96 171.29 8.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.402 -178.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.517 ' HB2' ' HD2' ' B' ' 7' ' ' PRO . 0.7 OUTLIER -145.41 165.77 20.27 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.438 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . 0.517 ' HD2' ' HB2' ' B' ' 6' ' ' GLN . 10.0 Cg_endo -52.68 140.62 55.8 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.325 2.017 . . . . 0.0 111.317 173.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.541 HG12 ' HE1' ' B' ' 101' ' ' MET . 12.3 pt -74.95 4.11 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -171.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -77.86 10.97 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.005 0.431 . . . . 0.0 111.491 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.3 p -66.54 -28.37 68.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.519 0.676 . . . . 0.0 109.379 169.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -120.65 115.77 32.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.29 174.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -70.06 -33.44 15.46 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.433 2.089 . . . . 0.0 113.097 -172.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -76.08 -40.97 51.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.079 0.466 . . . . 0.0 110.299 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.75 -41.65 87.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.514 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -35.35 80.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.727 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.7 ttm -61.42 -25.52 67.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.849 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 47.3 m -65.19 -36.56 84.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.175 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.493 ' HE3' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -64.97 -42.78 94.27 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.827 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.45 ' HA ' ' HE3' ' B' ' 70' ' ' MET . 0.6 OUTLIER -63.8 -43.84 95.09 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.606 177.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -62.82 -43.23 99.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.557 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -65.67 -38.19 88.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.092 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.718 HD22 HD11 ' B' ' 97' ' ' LEU . 31.4 mt -56.82 -43.43 80.99 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.213 177.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.94 -39.22 84.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.78 0.324 . . . . 0.0 110.696 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -67.82 -36.96 81.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.578 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 30.8 p -80.71 -38.11 29.43 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.655 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.4 85.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 111.331 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' SER . . . . . 0.423 ' HB2' ' HE3' ' B' ' 37' ' ' MET . 32.9 t -65.21 -25.57 67.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.613 -175.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -97.79 1.44 48.35 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.49 -176.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 89.2 p -81.97 -51.12 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.542 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.48 3.53 62.88 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.774 -177.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.413 ' HB ' HD12 ' B' ' 32' ' ' LEU . 5.6 t -85.39 -36.53 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.246 0.546 . . . . 0.0 110.569 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.413 HD12 ' HB ' ' B' ' 31' ' ' VAL . 6.0 mp -91.29 151.13 21.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.796 -176.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 67.4 p -87.47 170.4 11.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.892 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.03 -30.8 71.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.152 0.501 . . . . 0.0 110.559 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.9 -57.45 11.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.579 177.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.713 ' HB3' HG12 ' B' ' 77' ' ' VAL . 46.9 mt-30 -60.9 -41.56 96.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.514 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' MET . . . . . 0.423 ' HE3' ' HB2' ' B' ' 27' ' ' SER . 68.4 mmm -64.04 -34.31 77.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.818 -177.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.427 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 14.5 t70 -69.78 -38.27 76.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -60.74 -43.33 98.08 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.255 0.55 . . . . 0.0 110.412 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.459 ' O ' ' HB3' ' B' ' 43' ' ' MET . 84.5 mtp -66.99 -31.42 71.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.028 0.442 . . . . 0.0 110.646 178.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.96 -45.92 84.77 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.077 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.671 ' SD ' ' HG3' ' A' ' 62' ' ' ARG . 24.7 ptt? -67.24 -26.79 66.76 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.78 0.324 . . . . 0.0 110.304 177.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' MET . . . . . 0.459 ' HB3' ' O ' ' B' ' 40' ' ' MET . 47.8 ttp -58.38 -53.61 56.41 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.021 0.438 . . . . 0.0 110.372 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.29 93.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.07 -40.34 78.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.698 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 22.4 p -64.25 -42.04 96.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.492 0.187 . . . . 0.0 110.987 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.438 HG22 ' O ' ' B' ' 43' ' ' MET . 46.6 t -62.66 -39.07 83.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.341 0.591 . . . . 0.0 109.818 175.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -64.94 -46.27 82.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.729 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 5.3 p -70.42 -26.86 63.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.587 -177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -66.18 -37.91 86.77 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.417 ' HE2' ' HB3' ' B' ' 51' ' ' MET . 42.7 mtp -68.78 -27.67 66.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.587 175.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.94 -30.28 70.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.148 0.499 . . . . 0.0 110.03 174.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -82.21 -47.79 12.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.357 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 62.0 mtm -75.22 -49.36 19.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.235 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.84 -133.02 22.49 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.782 -175.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -80.63 157.11 21.64 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.931 2.421 . . . . 0.0 112.461 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 54.36 70.8 1.54 Allowed Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.893 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -81.53 156.01 18.76 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.069 1.846 . . . . 0.0 113.428 -176.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.452 ' HG2' ' HB2' ' B' ' 62' ' ' ARG . 55.8 Cg_endo -71.38 115.24 4.2 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 123.506 2.804 . . . . 0.0 111.771 176.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -55.67 -40.06 71.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.18 -176.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.799 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 29.3 p80 -64.99 -36.07 83.21 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.608 -176.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.452 ' HB2' ' HG2' ' B' ' 59' ' ' PRO . 72.8 mtt180 -66.34 -28.98 69.08 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.089 -0.644 . . . . 0.0 109.963 177.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.86 -36.13 67.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.886 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.799 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 23.9 ptt180 -64.65 -37.51 87.83 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.64 -42.02 52.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.025 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.469 ' HA ' ' HB3' ' B' ' 69' ' ' ALA . 90.7 mmm -66.84 -25.1 66.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.385 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . 0.4 ' O ' ' HE1' ' B' ' 112' ' ' PHE . 7.1 t30 -52.37 -55.61 20.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.277 0.56 . . . . 0.0 110.09 173.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.578 ' HB ' ' HG2' ' A' ' 76' ' ' GLU . 17.4 m -80.13 -23.72 40.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.214 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -58.34 -52.57 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.187 176.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' MET . . . . . 0.45 ' HE3' ' HA ' ' B' ' 19' ' ' THR . 17.6 ttt -56.96 -43.96 82.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.485 176.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.67 88.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.598 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.81 -32.44 72.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.247 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 42.7 mt-10 -62.6 -46.89 86.2 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.427 ' O ' HG23 ' B' ' 78' ' ' VAL . 82.8 t -61.21 -44.86 99.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.443 175.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.53 91.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.225 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 25.5 tp10 -59.91 -42.18 93.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.638 176.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.713 HG12 ' HB3' ' B' ' 36' ' ' GLN . 75.4 t -63.81 -44.91 98.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.045 178.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 74' ' ' VAL . 65.5 t -69.4 -44.42 80.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.322 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.66 -33.47 76.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.805 0.336 . . . . 0.0 111.45 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' THR . . . . . 0.677 HG23 ' HD2' ' A' ' 64' ' ' ARG . 16.7 m -85.24 77.84 9.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.316 0.579 . . . . 0.0 110.414 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 60.4 p -154.02 162.17 27.48 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.0 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -56.97 148.6 67.04 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.421 2.081 . . . . 0.0 111.324 173.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.69 -19.1 66.73 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.293 1.995 . . . . 0.0 111.812 -175.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -86.2 -20.76 28.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.256 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.402 ' O ' HG22 ' B' ' 89' ' ' VAL . 18.3 t -107.48 -23.83 12.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.089 -175.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -43.99 -59.2 2.4 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.187 0.517 . . . . 0.0 112.154 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m -58.58 -32.36 68.88 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.58 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.81 -46.3 31.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.595 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.402 HG22 ' O ' ' B' ' 85' ' ' SER . 58.1 t -58.69 -44.55 90.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.271 0.558 . . . . 0.0 109.914 177.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -56.98 -50.56 72.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.492 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -63.12 -38.03 89.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.138 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 61.7 m -63.32 -48.48 77.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.363 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.7 mm -65.65 -46.5 89.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.1 -37.72 92.06 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.547 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.49 -42.76 70.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 178.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 46.4 t -71.03 -27.37 63.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.843 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.718 HD11 HD22 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -55.49 -46.33 76.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.045 177.031 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.522 ' HG3' HG22 ' B' ' 108' ' ' VAL . 38.7 ttp180 -60.3 -50.56 73.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.958 178.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -59.06 -50.28 74.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.99 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 73.1 m -54.5 -42.88 71.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.972 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.541 ' HE1' HG12 ' B' ' 8' ' ' ILE . 15.6 mmt -65.99 -43.1 88.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.811 0.338 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 46.8 tpp -62.09 -38.72 89.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.963 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -83.32 -17.49 42.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.8 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.45 -53.09 4.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.817 0.341 . . . . 0.0 111.693 -177.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.437 HG23 ' CG2' ' B' ' 8' ' ' ILE . 67.7 p -109.7 -43.01 4.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.685 -173.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.92 -11.82 7.76 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 68.2 m -130.83 142.69 50.4 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.525 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 3.7 p -91.45 104.99 16.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.502 0.668 . . . . 0.0 111.01 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -71.56 129.67 39.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.52 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.26 -24.81 23.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.631 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.74 -54.41 45.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.966 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . 0.449 ' O ' HG22 ' B' ' 116' ' ' VAL . 76.9 t80 -66.89 -46.04 76.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.445 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.545 HG21 ' HB3' ' B' ' 97' ' ' LEU . 59.8 m -56.61 -44.13 80.83 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.315 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . 0.55 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 65.6 t30 -72.72 -38.05 67.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.608 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.81 -41.98 92.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.383 -178.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.449 HG22 ' O ' ' B' ' 112' ' ' PHE . 58.4 t -59.53 -39.26 78.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.127 0.489 . . . . 0.0 109.992 177.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.558 ' HA ' ' HE2' ' B' ' 117' ' ' MET . 20.2 mmt -67.06 -44.85 79.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.079 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 44.4 mt-30 -57.52 -43.1 84.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.757 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.92 -51.25 67.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.452 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.0 p -72.18 -32.33 42.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.511 -174.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' B' ' 125' ' ' ALA . 58.0 mtpt -75.01 -7.94 55.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.0 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -100.32 -50.82 3.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.931 0.396 . . . . 0.0 110.538 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.79 -38.67 86.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.868 -176.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 33.1 t -97.8 13.9 28.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.172 -176.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' B' ' 121' ' ' LYS . . . -98.34 27.68 4.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.185 0.517 . . . . 0.0 111.564 -176.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -90.64 90.19 7.86 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.969 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 70.5 m -154.26 107.63 2.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.207 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -103.07 40.52 1.38 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.355 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -58.43 139.99 54.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.733 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.46 142.45 53.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.645 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 34.6 m -102.45 7.94 9.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.249 0.547 . . . . 0.0 110.715 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 20.1 t -68.76 103.02 1.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.533 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.337 -176.052 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.757 -0.537 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.8 m -154.25 -166.56 2.39 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.15 -87.14 1.36 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -176.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -105.52 128.02 53.34 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 171.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -155.54 155.68 33.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.818 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -71.19 143.99 89.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -47.32 122.21 6.29 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.082 2.521 . . . . 0.0 112.879 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.823 ' HB ' HG21 ' A' ' 105' ' ' THR . 2.7 pp -67.84 -7.15 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.915 -175.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -71.9 8.74 1.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.871 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.5 m -65.34 -23.58 67.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.307 0.575 . . . . 0.0 109.485 172.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -122.19 114.2 30.75 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.02 176.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -70.78 -33.95 11.93 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.735 2.29 . . . . 0.0 112.715 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -68.21 -41.99 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.428 . . . . 0.0 109.866 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.41 95.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.713 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.35 99.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.657 177.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.1 ttm -62.53 -29.84 70.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.531 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.8 m -65.05 -36.78 85.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.966 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.45 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 0.2 OUTLIER -65.48 -42.08 92.6 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 176.621 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -44.87 95.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.348 176.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -64.04 -44.17 93.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.824 178.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -59.4 -40.53 86.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.641 HD21 HD11 ' A' ' 97' ' ' LEU . 29.2 mt -62.28 -42.02 98.99 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.174 -0.211 . . . . 0.0 111.325 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.42 -44.8 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.681 0.277 . . . . 0.0 110.62 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -62.23 -45.78 91.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.073 0.463 . . . . 0.0 110.069 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.6 t -60.73 -42.67 97.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.503 ' HB2' HD12 ' A' ' 32' ' ' LEU . . . -68.23 -41.67 80.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.094 0.473 . . . . 0.0 111.255 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 t -67.7 -33.63 75.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.139 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -86.33 -24.02 26.01 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.302 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 p -74.62 -41.89 59.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.075 0.464 . . . . 0.0 110.094 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.97 19.82 78.54 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.649 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 p -88.55 -18.24 8.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.064 0.459 . . . . 0.0 110.139 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.503 HD12 ' HB2' ' A' ' 26' ' ' ALA . 5.3 mp -95.72 152.16 18.71 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.548 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.3 p -85.46 178.42 7.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.298 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -43.13 91.63 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.965 ' HB3' HH22 ' B' ' 64' ' ' ARG . 1.1 m-20 -52.43 -58.5 6.52 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.906 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.572 ' HB3' HG13 ' A' ' 77' ' ' VAL . 48.4 mt-30 -60.08 -46.98 87.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.149 -175.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.6 mmm -59.99 -46.18 90.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.826 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.402 ' OD2' ' HE1' ' B' ' 61' ' ' HIS . 29.4 t70 -68.23 -33.92 75.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.019 0.438 . . . . 0.0 111.077 -174.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.478 ' HA ' ' NH1' ' B' ' 62' ' ' ARG . 65.6 m-20 -71.64 -35.42 70.39 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.814 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.5 mtp -65.05 -34.27 78.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.014 0.435 . . . . 0.0 110.185 174.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.79 -40.82 99.33 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.655 174.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.435 ' SD ' ' HG3' ' B' ' 62' ' ' ARG . 53.3 ttp -64.0 -35.42 80.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 110.693 176.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.491 ' O ' HG22 ' A' ' 47' ' ' VAL . 43.6 ttp -58.44 -46.13 87.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 177.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.94 89.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.972 0.415 . . . . 0.0 110.773 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.48 -38.76 77.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.49 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 p -66.67 -39.87 88.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.685 0.278 . . . . 0.0 111.042 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 43' ' ' MET . 41.6 t -65.67 -35.63 75.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.253 0.549 . . . . 0.0 109.957 175.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -72.01 -48.89 41.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.575 -177.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.501 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 8.1 p -62.61 -40.14 96.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.581 -175.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.536 ' HB3' ' HE2' ' A' ' 54' ' ' MET . 92.5 mt-30 -58.2 -39.37 78.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.855 0.36 . . . . 0.0 110.894 177.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 88.0 mmm -62.63 -49.25 75.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.27 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -70.44 -21.15 62.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.382 -177.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 49' ' ' SER . 41.1 mtpt -78.81 -47.46 16.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.387 176.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.536 ' HE2' ' HB3' ' A' ' 50' ' ' GLN . 74.3 mtm -79.79 -55.4 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.809 -174.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.31 -159.8 27.17 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.109 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -84.28 -14.02 7.22 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.638 2.225 . . . . 0.0 113.07 -176.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -135.5 81.72 41.65 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-O 121.15 0.5 . . . . 0.0 110.699 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -63.18 158.53 43.72 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.994 2.463 . . . . 0.0 112.398 173.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.503 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 40.7 Cg_endo -66.96 154.96 72.89 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.947 2.431 . . . . 0.0 112.258 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 28.1 mm-40 -58.07 -43.2 86.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.161 -177.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.592 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 30.3 p80 -60.8 -35.15 75.75 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.865 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.503 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 3.0 tmt_? -66.14 -38.95 89.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.799 0.333 . . . . 0.0 110.343 -177.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.96 -49.98 70.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.369 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.592 ' HE ' ' HA ' ' A' ' 61' ' ' HIS . 10.1 ptt180 -72.37 -21.05 61.35 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.924 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.879 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -76.35 -51.15 12.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.935 0.397 . . . . 0.0 110.691 175.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.453 ' HA ' ' HB2' ' A' ' 69' ' ' ALA . 99.7 mmm -63.73 -22.06 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.293 -177.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -50.85 -53.24 33.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.127 0.489 . . . . 0.0 109.992 170.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 57.3 m -76.85 -33.06 57.92 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.072 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.453 ' HB2' ' HA ' ' A' ' 66' ' ' MET . . . -60.79 -54.68 42.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.654 0.264 . . . . 0.0 111.304 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.483 ' HE3' ' CZ ' ' A' ' 112' ' ' PHE . 20.7 ttt -59.38 -44.22 92.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.48 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.96 99.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.129 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.14 -38.09 89.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.019 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -62.04 -48.82 78.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.689 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.438 HG22 ' SD ' ' A' ' 43' ' ' MET . 73.1 t -58.95 -45.73 91.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.827 0.346 . . . . 0.0 110.629 177.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.89 -43.47 98.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.378 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.76 -45.73 91.35 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.572 HG13 ' HB3' ' A' ' 36' ' ' GLN . 39.3 t -58.03 -50.76 76.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.37 177.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 74' ' ' VAL . 95.6 t -61.69 -45.08 99.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.647 0.261 . . . . 0.0 111.384 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.449 ' HB1' HG21 ' A' ' 120' ' ' VAL . . . -64.01 -19.61 65.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.59 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.3 m -91.22 69.18 6.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.256 0.55 . . . . 0.0 110.199 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 56.9 p -152.33 152.99 30.26 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.416 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.01 143.11 99.19 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.284 1.989 . . . . 0.0 111.241 175.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.35 -24.74 36.15 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.227 2.618 . . . . 0.0 112.419 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -60.23 -50.04 75.22 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.569 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.5 m -107.07 4.23 26.72 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.909 -173.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -55.47 -48.75 74.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 110.787 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.3 t -62.24 -38.91 91.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.549 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.66 -48.99 72.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.9 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.413 HG13 ' HG ' ' A' ' 32' ' ' LEU . 77.7 t -62.13 -46.41 96.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.946 0.403 . . . . 0.0 110.199 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -57.83 -50.09 74.45 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.493 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -58.57 -43.97 89.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.08 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.3 m -59.42 -50.37 74.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.37 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.412 HG23 HD13 ' A' ' 97' ' ' LEU . 1.5 mm -66.8 -48.97 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.073 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.48 -32.23 82.4 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.934 -0.651 . . . . 0.0 113.213 -176.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.54 -38.21 26.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.669 -0.313 . . . . 0.0 110.905 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.0 t -77.18 -25.11 51.49 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.641 HD11 HD21 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -50.55 -53.32 31.25 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.146 176.423 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -57.26 -50.06 74.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.138 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 7.0 mm-40 -64.28 -47.1 80.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.97 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 61.9 m -51.34 -39.86 57.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.402 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.491 ' HE3' HD11 ' A' ' 8' ' ' ILE . 15.0 mmt -64.38 -44.71 90.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.829 0.347 . . . . 0.0 110.761 177.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.415 ' HE3' HG21 ' A' ' 108' ' ' VAL . 27.4 ttm -70.24 -26.27 63.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.988 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 32.2 mm-40 -77.68 -35.87 51.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.132 0.491 . . . . 0.0 110.194 177.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.76 -68.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.374 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.823 HG21 ' HB ' ' A' ' 8' ' ' ILE . 72.0 p -89.49 -40.26 12.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.189 0.518 . . . . 0.0 110.869 -176.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.58 -1.77 30.7 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -176.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.5 m -129.82 134.3 47.47 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.415 HG21 ' HE3' ' A' ' 102' ' ' MET . 63.9 t -75.78 101.95 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.938 0.399 . . . . 0.0 110.976 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -75.58 101.39 4.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.318 175.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -76.58 -20.68 56.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.812 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.66 -52.43 57.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.834 0.35 . . . . 0.0 110.496 -178.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.483 ' CZ ' ' HE3' ' A' ' 70' ' ' MET . 79.2 t80 -66.82 -49.27 66.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.212 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.574 HG21 ' HB3' ' A' ' 97' ' ' LEU . 28.6 m -55.08 -44.88 75.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.718 -178.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -66.99 -42.92 84.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.729 0.299 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.21 -41.63 89.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 -175.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 82.5 t -58.2 -40.45 77.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.902 0.382 . . . . 0.0 110.973 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.577 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 8.6 mmt -69.95 -37.95 75.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.226 -176.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -70.4 -40.9 73.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.487 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.507 HD21 ' HE2' ' B' ' 122' ' ' MET . 13.9 mt -58.69 -47.7 83.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.344 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.449 HG21 ' HB1' ' A' ' 79' ' ' ALA . 14.4 p -71.71 -36.42 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.962 -176.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -66.1 -33.82 76.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.643 0.259 . . . . 0.0 110.783 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.481 ' HE2' HD22 ' B' ' 119' ' ' LEU . 37.4 ttp -68.63 -39.0 80.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 178.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 83.4 mt -74.42 -32.35 62.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.205 0.526 . . . . 0.0 111.007 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 57.9 m -91.51 12.64 20.16 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.177 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -88.05 103.33 15.62 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 120.999 0.428 . . . . 0.0 110.499 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -129.81 128.23 41.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.632 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.1 p -64.89 113.7 4.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.134 0.493 . . . . 0.0 111.046 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.01 32.72 0.98 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.17 -174.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -67.35 108.63 2.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.44 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.02 117.12 27.81 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 121.89 0.852 . . . . 0.0 110.317 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 10.9 t -85.08 -34.22 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 114.419 -1.264 . . . . 0.0 110.76 -170.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.5 t -85.64 176.74 8.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.857 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.365 -178.077 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.004 -0.438 . . . . 0.0 112.004 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.8 m -148.31 139.35 23.2 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.14 -158.85 27.13 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.186 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . 0.4 HD21 ' N ' ' B' ' 4' ' ' ASN . 0.1 OUTLIER -59.42 124.43 20.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.47 0.652 . . . . 0.0 110.898 178.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -138.58 172.26 13.14 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.898 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -68.89 145.45 96.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 175.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -49.06 113.28 0.85 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.952 2.435 . . . . 0.0 112.324 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.862 ' HB ' HG22 ' B' ' 105' ' ' THR . 2.5 pp -69.24 -3.07 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.65 -175.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . 0.499 ' O ' HD12 ' B' ' 63' ' ' LEU . 87.3 m95 -79.7 12.19 2.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.425 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.5 m -60.08 -30.0 68.94 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.519 0.676 . . . . 0.0 109.702 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -130.46 111.16 16.43 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.457 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -67.2 -26.36 42.35 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.085 2.523 . . . . 0.0 112.409 -173.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -67.38 -36.79 82.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.123 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.37 -42.03 65.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.256 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.65 97.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.642 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' MET . . . . . 0.407 ' HE3' HG11 ' B' ' 47' ' ' VAL . 43.1 ttm -63.48 -27.24 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.519 177.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 63.2 m -67.28 -37.21 83.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.192 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.574 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.3 OUTLIER -62.64 -39.53 94.16 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 175.739 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -63.0 -47.29 83.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.804 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -67.12 -39.91 86.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.981 -178.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -61.82 -36.92 82.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.985 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.658 HD23 HD12 ' B' ' 97' ' ' LEU . 54.5 mt -59.73 -47.29 86.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.065 177.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.425 HG22 ' HB3' ' B' ' 40' ' ' MET . 90.5 t -61.72 -45.39 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.962 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 48.1 mt-30 -61.48 -42.68 99.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.038 0.447 . . . . 0.0 110.193 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 31.1 t -64.32 -41.81 96.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.823 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' B' ' 32' ' ' LEU . . . -63.6 -37.23 86.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.947 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 39.8 t -70.34 -21.61 62.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.715 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' B' ' 24' ' ' GLN . 53.5 mtp180 -80.79 -35.5 33.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.827 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.9 p -80.39 -48.13 13.37 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.981 -177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.91 23.33 78.15 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.07 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.1 p -88.24 -5.67 10.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.625 0.726 . . . . 0.0 109.963 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' B' ' 26' ' ' ALA . 4.9 mp -104.57 160.87 14.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.568 -178.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 35.0 p -89.21 173.6 8.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.804 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.08 96.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.745 0.307 . . . . 0.0 110.738 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.57 ' OD2' ' HB3' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -54.84 -48.83 72.36 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.756 175.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.666 ' HB3' HG11 ' B' ' 77' ' ' VAL . 27.0 mt-30 -68.11 -44.44 76.17 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.255 -177.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 80.7 mmm -63.01 -45.69 91.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.641 0.257 . . . . 0.0 111.229 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -69.42 -25.52 64.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.353 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -72.91 -44.06 61.7 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.203 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.425 ' HB3' HG22 ' B' ' 23' ' ' VAL . 88.6 mtp -61.99 -38.76 89.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.255 176.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.95 -42.48 96.83 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.436 175.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -60.27 -42.61 95.77 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.836 0.35 . . . . 0.0 110.293 175.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 39.6 ttp -54.79 -52.05 63.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.089 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.92 95.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.53 -34.08 77.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.209 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 65.1 m -62.13 -50.49 71.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.584 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.407 HG11 ' HE3' ' B' ' 16' ' ' MET . 24.3 t -58.58 -42.36 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 121.372 0.606 . . . . 0.0 109.825 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -60.29 -47.32 86.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.088 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.452 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 20.5 m -69.56 -43.26 73.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.27 -178.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -58.83 -41.6 87.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.656 0.265 . . . . 0.0 111.046 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -57.0 -48.61 78.05 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.079 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.407 HE21 ' HA ' ' B' ' 49' ' ' SER . 26.5 pt20 -82.77 -7.91 59.62 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -176.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.633 ' HZ3' ' HB3' ' B' ' 53' ' ' LYS . 9.6 mtpm? -81.03 -9.78 59.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.327 0.584 . . . . 0.0 109.926 170.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' MET . . . . . 0.539 ' SD ' ' HG2' ' B' ' 62' ' ' ARG . 74.9 mtm -112.21 -172.52 2.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.587 177.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.75 179.7 51.29 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.373 -0.917 . . . . 0.0 111.906 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.6 -14.36 39.37 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.512 2.141 . . . . 0.0 112.456 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -128.91 84.61 62.55 Favored Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.699 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.42 157.0 53.9 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.459 2.106 . . . . 0.0 112.712 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.641 ' HG2' ' HD3' ' B' ' 62' ' ' ARG . 31.6 Cg_endo -65.3 147.4 87.67 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.695 2.263 . . . . 0.0 111.907 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -66.57 -30.93 71.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.827 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.551 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 25.8 p80 -68.28 -20.4 64.78 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.227 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.641 ' HD3' ' HG2' ' B' ' 59' ' ' PRO . 2.9 mpt_? -68.64 -38.94 80.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.499 HD12 ' O ' ' B' ' 9' ' ' TRP . 75.9 mt -68.05 -39.86 82.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.934 -177.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.965 HH22 ' HB3' ' A' ' 35' ' ' ASP . 23.6 ptt180 -64.73 -39.37 93.52 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.708 0.289 . . . . 0.0 110.343 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.55 -38.45 65.23 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 111.046 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 86.5 mmm -68.8 -29.78 68.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.151 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . 0.492 ' HA ' ' CZ2' ' B' ' 9' ' ' TRP . 7.7 t30 -54.88 -50.56 68.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.228 0.537 . . . . 0.0 110.225 175.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 18.3 m -70.86 -35.77 72.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.963 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.83 -51.33 67.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.842 0.353 . . . . 0.0 111.328 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.0 ttt -60.67 -47.0 88.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.717 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.39 98.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.221 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.01 94.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.451 ' O ' HG21 ' B' ' 77' ' ' VAL . 24.8 mm-40 -62.41 -48.46 79.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.146 178.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.473 ' O ' HG21 ' B' ' 78' ' ' VAL . 58.7 t -57.72 -45.35 86.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.968 0.413 . . . . 0.0 110.539 176.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.93 96.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.784 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.879 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 18.4 tp10 -57.51 -49.7 75.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.256 176.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.666 HG11 ' HB3' ' B' ' 36' ' ' GLN . 54.1 t -52.1 -49.61 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.954 178.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.473 HG21 ' O ' ' B' ' 74' ' ' VAL . 58.4 t -64.13 -41.35 92.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.07 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.38 2.02 26.61 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 39.1 m -92.12 -11.61 35.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.215 0.531 . . . . 0.0 110.259 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 89.6 p -74.5 160.6 80.79 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.46 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . 0.415 ' HB2' ' HG2' ' B' ' 84' ' ' GLN . 18.8 Cg_exo -66.31 146.27 80.36 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.217 1.945 . . . . 0.0 110.557 173.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -55.19 -32.23 79.39 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.552 2.168 . . . . 0.0 111.988 -176.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.415 ' HG2' ' HB2' ' B' ' 82' ' ' PRO . 13.8 pt20 -66.41 -17.9 65.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.002 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 68.2 m -123.5 4.75 8.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 -177.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . 0.527 ' OH ' HG21 ' B' ' 120' ' ' VAL . 38.4 t80 -55.01 -58.09 9.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.416 -176.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 69.9 m -61.61 -35.41 77.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.461 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.28 96.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.927 0.394 . . . . 0.0 110.551 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 56.8 t -70.14 -45.36 76.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.196 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -57.59 -50.98 71.33 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.709 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -58.99 -36.17 74.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.969 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 87.9 m -67.53 -50.56 58.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.805 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . 0.431 HG21 HD11 ' B' ' 97' ' ' LEU . 1.4 mm -64.93 -46.65 91.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.956 178.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.77 -40.88 97.22 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.853 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.25 -35.48 66.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.791 0.329 . . . . 0.0 111.301 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.79 -14.95 40.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.845 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.658 HD12 HD23 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -56.77 -47.07 80.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.473 0.654 . . . . 0.0 109.516 171.204 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -58.46 -49.67 76.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.583 176.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -58.85 -48.25 82.0 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.912 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' SER . . . . . 0.427 ' HB3' ' HG2' ' B' ' 18' ' ' MET . 66.7 m -55.09 -46.2 75.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.697 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.436 ' HE2' ' HE2' ' B' ' 18' ' ' MET . 18.9 mmt -62.63 -39.07 92.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.94 0.4 . . . . 0.0 111.13 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.523 ' HE1' HG21 ' B' ' 108' ' ' VAL . 7.1 ttm -68.19 -24.63 64.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.556 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -96.78 -20.54 18.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.044 0.45 . . . . 0.0 111.407 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.11 -57.33 3.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.894 0.378 . . . . 0.0 110.993 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.862 HG22 ' HB ' ' B' ' 8' ' ' ILE . 64.3 p -107.12 -26.79 10.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 0.0 110.745 -178.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' B' ' 102' ' ' MET . . . 99.87 -0.09 56.37 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -176.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' B' ' 101' ' ' MET . 17.0 m -135.5 135.16 40.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.485 -0.358 . . . . 0.0 110.129 -177.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.523 HG21 ' HE1' ' B' ' 102' ' ' MET . 53.0 t -88.19 102.6 12.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.788 0.328 . . . . 0.0 110.608 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -78.27 133.59 37.66 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.868 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -91.66 -21.33 20.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.48 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.59 -52.44 60.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.646 0.26 . . . . 0.0 110.688 -176.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . 0.452 ' O ' HG22 ' B' ' 116' ' ' VAL . 83.3 t80 -67.23 -50.2 61.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.342 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.522 ' HA ' HD22 ' B' ' 97' ' ' LEU . 43.2 m -55.14 -44.45 75.09 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.286 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . 0.461 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 13.2 t30 -69.75 -38.15 76.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.818 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . 0.412 ' HA ' HE21 ' B' ' 118' ' ' GLN . 12.0 tp10 -62.47 -42.17 99.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.626 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.452 HG22 ' O ' ' B' ' 112' ' ' PHE . 57.7 t -58.16 -41.03 79.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.025 0.441 . . . . 0.0 110.384 176.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.559 ' HE1' ' HA ' ' B' ' 117' ' ' MET . 26.5 mmt -64.63 -43.15 94.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.505 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 37.9 mt-30 -62.3 -45.58 92.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.995 0.426 . . . . 0.0 110.337 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.53 ' O ' ' HG ' ' B' ' 123' ' ' LEU . 15.8 mt -55.84 -51.48 67.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.395 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . 0.527 HG21 ' OH ' ' B' ' 86' ' ' TYR . 11.4 p -69.35 -36.25 71.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.242 -174.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -64.36 -39.1 93.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.973 0.416 . . . . 0.0 110.375 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.507 ' HE2' HD21 ' A' ' 119' ' ' LEU . 37.0 ttp -68.29 -38.54 81.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.063 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 119' ' ' LEU . 86.9 mt -65.98 -29.43 69.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.029 0.443 . . . . 0.0 110.645 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 23.9 t -94.84 7.42 46.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.735 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -87.57 31.53 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.229 0.538 . . . . 0.0 111.496 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.19 122.09 16.29 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.158 175.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 32.6 m -66.45 125.48 25.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.646 -178.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -146.95 63.74 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.066 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -76.76 117.81 18.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -79.05 125.07 28.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.731 0.777 . . . . 0.0 111.041 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 1.9 t -97.38 -5.3 9.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.156 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 15.5 m -91.68 135.08 34.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.362 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.556 -0.735 . . . . 0.0 109.706 176.164 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 112.708 -0.157 . . . . 0.0 112.708 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -86.33 137.64 32.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.672 0.272 . . . . 0.0 111.12 -175.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.75 140.59 8.17 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.253 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -67.86 -61.61 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.007 0.432 . . . . 0.0 110.77 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -84.86 132.18 34.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.964 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.431 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 49.8 mt-30 -118.28 124.78 28.34 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -176.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.462 ' HB2' ' HD1' ' A' ' 9' ' ' TRP . 2.3 Cg_endo -85.66 -159.95 0.1 Allowed 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.067 2.511 . . . . 0.0 110.736 172.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.439 HD11 ' SD ' ' A' ' 101' ' ' MET . 7.4 pt -83.69 17.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.133 0.492 . . . . 0.0 111.225 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.62 ' CH2' ' HG2' ' A' ' 66' ' ' MET . 77.0 m95 -88.33 31.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.438 -177.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.3 m -64.39 -38.78 92.24 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 171.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -132.28 136.88 28.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.543 174.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.53 -33.99 44.16 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.831 2.354 . . . . 0.0 112.738 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -71.94 -33.27 68.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 110.572 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.39 76.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.236 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.17 93.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.832 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.0 ttm -60.56 -26.77 67.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.063 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.5 m -65.58 -35.57 81.21 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.969 0.414 . . . . 0.0 110.302 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.82 -39.93 79.77 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 176.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -61.52 -42.47 98.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.929 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -68.77 -42.68 77.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.146 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -64.5 -34.36 78.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.496 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.694 HD22 HD11 ' A' ' 97' ' ' LEU . 32.1 mt -58.72 -39.35 80.6 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.89 0.376 . . . . 0.0 110.964 176.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.2 t -70.15 -36.98 70.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.062 0.458 . . . . 0.0 110.382 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -68.1 -45.45 73.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.558 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 29.2 p -68.81 -34.6 75.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.719 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB2' HD12 ' A' ' 32' ' ' LEU . . . -65.65 -40.7 92.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.153 0.502 . . . . 0.0 111.051 175.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.5 t -69.38 -34.62 74.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.045 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.558 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 12.5 ptm180 -85.24 -11.0 55.89 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.249 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 p -90.84 -41.78 11.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.958 0.408 . . . . 0.0 109.95 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.68 23.15 78.02 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.466 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.401 HG13 HD13 ' A' ' 32' ' ' LEU . 13.7 p -88.0 -17.0 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.264 0.554 . . . . 0.0 110.424 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 26' ' ' ALA . 5.2 mp -95.39 161.56 14.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.46 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.9 p -93.41 176.64 6.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.59 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.26 83.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.651 0.262 . . . . 0.0 111.211 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -59.35 -54.1 50.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.194 0.521 . . . . 0.0 109.737 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.617 ' HB3' HG13 ' A' ' 77' ' ' VAL . 50.1 mt-30 -60.42 -46.23 90.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.047 -0.978 . . . . 0.0 111.406 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 86.2 mmm -63.49 -34.25 77.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.581 -177.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -73.2 -34.92 66.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.448 -178.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' A' ' 42' ' ' MET . 10.1 m-20 -65.2 -40.8 94.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.492 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.424 ' O ' ' HB3' ' A' ' 43' ' ' MET . 87.1 mtp -66.73 -36.4 82.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.952 0.406 . . . . 0.0 110.392 176.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.92 -45.72 93.38 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.676 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.55 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -74.24 -17.61 60.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.322 . . . . 0.0 110.372 179.443 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.43 ' O ' HG23 ' A' ' 47' ' ' VAL . 49.3 ttp -65.02 -46.8 79.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.193 0.521 . . . . 0.0 109.723 172.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.86 -31.86 73.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.534 0.683 . . . . 0.0 109.962 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.55 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 21.4 t70 -67.58 -46.1 73.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.565 178.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 p -65.8 -42.1 91.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.479 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.533 HG12 ' SD ' ' A' ' 66' ' ' MET . 73.0 t -61.47 -42.73 95.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.133 177.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -66.53 -48.25 70.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.866 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.8 p -64.08 -44.1 93.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 110.971 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.54 ' OE1' ' HB3' ' B' ' 46' ' ' SER . 0.0 OUTLIER -59.84 -46.37 89.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.825 175.743 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.446 ' HB2' ' O ' ' A' ' 47' ' ' VAL . 5.1 tmm? -56.27 -52.91 62.77 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.914 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -68.55 -26.25 65.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.692 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -71.88 -22.99 61.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.064 0.459 . . . . 0.0 111.01 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 73.5 mtm -92.15 -35.14 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.231 0.538 . . . . 0.0 110.041 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.25 -173.38 25.18 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.151 176.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.36 137.8 62.46 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.623 2.216 . . . . 0.0 111.8 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.5 m120 56.11 71.86 1.12 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.389 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -75.51 163.04 34.93 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 123.149 2.566 . . . . 0.0 112.533 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -65.46 143.98 77.92 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.657 2.238 . . . . 0.0 112.449 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.453 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 21.1 mt-30 -79.8 -29.08 40.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.349 -172.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.447 ' HE1' ' OD2' ' B' ' 38' ' ' ASP . 26.1 p80 -61.8 -38.03 86.58 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.142 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.401 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 63.8 mtt180 -68.91 -31.15 69.85 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.109 176.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.6 -31.33 71.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.135 176.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 57.4 mtm180 -59.98 -55.24 36.44 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.604 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -63.45 -36.21 82.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.3 -178.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.62 ' HG2' ' CH2' ' A' ' 9' ' ' TRP . 33.5 ttm -69.19 -33.57 73.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.421 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -54.67 -50.92 67.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.091 0.472 . . . . 0.0 110.562 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.489 HG22 ' HB2' ' B' ' 72' ' ' ALA . 6.7 m -72.12 -29.21 63.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.782 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.24 -53.51 55.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.841 0.353 . . . . 0.0 110.252 175.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.8 ttt -57.75 -45.68 85.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.78 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.16 97.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.573 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.499 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -71.58 -33.23 68.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.43 -178.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 41.5 mt-10 -60.03 -46.22 90.22 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 176.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.67 -45.93 96.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.669 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.71 94.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.974 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 21.5 tp10 -57.79 -48.29 80.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.366 176.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.617 HG13 ' HB3' ' A' ' 36' ' ' GLN . 56.9 t -57.92 -45.3 87.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.56 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -77.59 -47.19 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.801 -175.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.434 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . . . -64.54 -43.83 92.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.788 0.328 . . . . 0.0 111.786 -174.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.2 m -87.71 72.95 9.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.477 0.656 . . . . 0.0 110.612 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.463 ' HB2' ' HD2' ' A' ' 82' ' ' PRO . 59.5 p -137.67 174.48 4.29 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.107 -0.951 . . . . 0.0 108.91 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 81' ' ' SER . 46.6 Cg_exo -56.96 139.72 90.45 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 121.898 1.732 . . . . 0.0 110.831 173.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.05 -12.03 33.65 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.37 2.047 . . . . 0.0 112.371 -172.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -96.48 -14.71 22.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.078 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 t -108.92 -16.49 14.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.8 -176.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.434 ' CE1' ' HA ' ' A' ' 79' ' ' ALA . 45.3 t80 -49.64 -51.4 38.03 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.021 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.8 t -64.17 -32.87 74.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.748 0.308 . . . . 0.0 110.979 -177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.29 -45.05 50.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.623 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.418 HG11 ' HG ' ' A' ' 32' ' ' LEU . 94.1 t -63.5 -43.63 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.116 177.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.08 -49.93 76.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.509 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -58.93 -36.53 74.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.683 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.6 m -65.93 -49.69 67.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.287 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 93' ' ' ILE . 2.3 mm -66.12 -45.7 89.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.511 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.48 -35.2 90.7 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.754 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.16 -40.24 53.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.832 0.348 . . . . 0.0 110.371 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.5 ' SG ' HD23 ' A' ' 22' ' ' LEU . 47.6 t -67.67 -33.94 75.93 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -178.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.694 HD11 HD22 ' A' ' 22' ' ' LEU . 1.5 mp -51.64 -46.42 63.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.091 0.472 . . . . 0.0 110.94 177.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 45.3 ttt-85 -63.38 -51.3 66.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.467 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 13.8 mm-40 -62.72 -47.46 83.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.173 -178.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.9 m -55.57 -39.27 70.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.701 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.439 ' SD ' HD11 ' A' ' 8' ' ' ILE . 15.7 mmt -65.93 -40.87 91.78 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.613 177.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 34.3 ttm -70.77 -29.39 65.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.14 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 87.1 mm-40 -80.22 -24.73 40.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.943 0.401 . . . . 0.0 110.581 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.43 -59.76 2.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.227 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 64.5 p -96.86 -41.05 8.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.907 0.384 . . . . 0.0 110.992 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 122.06 -15.94 8.8 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.683 -177.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.7 m -129.63 160.25 33.9 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.3 t -84.9 106.84 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.803 0.335 . . . . 0.0 111.314 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -78.95 114.99 18.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -90.18 -15.07 32.21 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 -177.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.68 -49.81 67.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.06 -176.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.404 ' O ' HG21 ' A' ' 116' ' ' VAL . 85.0 t80 -72.24 -46.95 53.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.351 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.555 HG22 ' HB3' ' A' ' 97' ' ' LEU . 24.9 m -58.24 -43.19 87.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.497 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 12.3 t30 -63.6 -39.49 94.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.749 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.61 -47.3 76.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.793 -176.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.533 ' HA ' HD13 ' A' ' 119' ' ' LEU . 53.8 t -60.01 -39.9 81.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.358 -177.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.624 ' HA ' ' HE1' ' A' ' 117' ' ' MET . 28.3 mmt -64.69 -35.6 81.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -177.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 114' ' ' ASN . 36.8 mt-30 -74.68 -41.06 60.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.929 0.395 . . . . 0.0 110.003 177.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 116' ' ' VAL . 21.2 mt -55.91 -49.38 73.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.2 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.7 p -69.67 -33.07 54.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.125 -0.488 . . . . 0.0 112.0 -173.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -75.93 -26.74 57.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.786 0.326 . . . . 0.0 110.795 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.474 ' HE1' HD21 ' B' ' 119' ' ' LEU . 43.5 ttp -80.95 -40.72 24.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.175 176.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 123' ' ' LEU . 0.2 OUTLIER -65.38 -33.71 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.493 -179.111 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t -81.27 6.1 15.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.552 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -89.5 98.78 11.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.962 0.411 . . . . 0.0 110.64 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -85.3 132.02 34.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.001 177.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.9 m -86.03 111.52 20.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.003 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.98 16.28 14.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.213 0.53 . . . . 0.0 110.596 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -75.91 175.21 9.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.452 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -81.05 71.62 8.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.001 0.429 . . . . 0.0 111.337 -175.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 29.1 m -97.99 -20.73 5.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.65 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.3 p -160.51 101.95 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.154 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.558 -177.644 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 111.959 -0.456 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.2 m -73.38 108.07 6.03 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.26 -133.13 2.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 121.233 -0.508 . . . . 0.0 111.872 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -153.57 -75.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 110.542 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -71.85 143.85 49.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.276 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -107.36 121.09 45.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.295 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.72 -168.15 0.53 Allowed 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.81 2.34 . . . . 0.0 111.46 174.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' B' ' 15' ' ' ALA . 1.2 pt -74.87 -5.01 6.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.901 0.382 . . . . 0.0 111.16 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -78.92 14.34 1.41 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.26 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -66.83 -34.34 77.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.17 0.51 . . . . 0.0 109.999 173.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -118.49 114.2 36.32 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.734 172.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -57.66 -34.09 97.62 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.758 2.305 . . . . 0.0 111.751 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -65.76 -43.44 88.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.597 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.95 -44.45 80.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.504 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.476 ' HA ' HD12 ' B' ' 8' ' ' ILE . . . -60.86 -42.45 97.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.758 177.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 43.6 ttm -63.34 -31.46 72.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.627 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 31.3 m -63.61 -35.66 81.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.048 0.452 . . . . 0.0 110.061 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 1.006 ' HE3' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -66.69 -43.21 85.01 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 176.029 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -61.75 -45.28 94.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.102 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.417 ' O ' ' HG3' ' B' ' 24' ' ' GLN . 89.3 m-20 -66.6 -40.98 89.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.083 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -62.14 -36.74 82.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.094 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.618 HD23 HD12 ' B' ' 97' ' ' LEU . 31.1 mt -58.88 -46.68 87.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.944 0.402 . . . . 0.0 111.259 177.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 46.3 t -66.77 -36.02 76.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.912 0.387 . . . . 0.0 110.251 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.557 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 49.9 mt-30 -65.91 -50.99 62.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.095 177.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 21.5 p -66.7 -33.84 76.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.965 0.412 . . . . 0.0 110.674 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.71 -43.13 80.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.058 0.456 . . . . 0.0 110.459 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 48.3 t -60.6 -36.94 79.78 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.1 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 8.1 ptm180 -88.21 0.92 55.52 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.3 p -87.88 -41.54 13.14 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.186 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.52 11.25 84.33 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.068 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.426 HG11 HG22 ' B' ' 89' ' ' VAL . 6.9 t -89.81 -26.76 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.152 0.501 . . . . 0.0 110.247 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.4 HD13 ' N ' ' B' ' 32' ' ' LEU . 6.3 mp -95.51 151.31 19.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.886 -176.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' THR . . . . . 0.507 ' HG1' ' CG ' ' B' ' 35' ' ' ASP . 34.5 p -88.65 178.48 6.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.607 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.08 -36.05 82.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.923 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.507 ' CG ' ' HG1' ' B' ' 33' ' ' THR . 4.0 p-10 -66.86 -51.36 56.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.468 176.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -58.04 -46.69 84.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.392 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' MET . . . . . 0.407 ' O ' ' HG3' ' B' ' 40' ' ' MET . 60.7 mmm -63.64 -41.07 98.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.095 -177.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.447 ' OD2' ' HE1' ' A' ' 61' ' ' HIS . 37.8 t70 -73.88 -25.48 60.06 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.403 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -63.32 -57.03 11.72 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.083 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.537 ' O ' ' HB3' ' B' ' 43' ' ' MET . 0.1 OUTLIER -65.41 -28.45 69.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.487 176.332 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.08 -45.48 95.4 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 121.049 -0.596 . . . . 0.0 111.874 175.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.557 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 11.3 ptt? -75.64 -17.85 59.87 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' MET . . . . . 0.544 ' O ' HG23 ' B' ' 47' ' ' VAL . 50.5 ttp -60.13 -54.45 45.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.66 88.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.442 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.557 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 28.4 t70 -66.65 -39.27 88.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.966 -177.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.54 ' HB3' ' OE1' ' A' ' 50' ' ' GLN . 13.0 p -69.31 -44.07 72.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.575 0.226 . . . . 0.0 110.967 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.544 HG23 ' O ' ' B' ' 43' ' ' MET . 34.7 t -59.31 -41.12 83.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-O 121.434 0.635 . . . . 0.0 109.307 174.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -61.88 -56.18 22.02 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.591 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 11.2 p -66.7 -38.75 87.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.784 -175.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.55 -37.86 89.01 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.927 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.413 ' HE2' ' HG3' ' B' ' 58' ' ' PRO . 56.9 mmm -61.23 -39.57 90.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.496 176.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -63.72 -46.33 85.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.676 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.415 ' HE3' ' HB3' ' B' ' 53' ' ' LYS . 19.9 mtpp -60.84 -46.96 88.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.748 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' MET . . . . . 0.405 ' SD ' ' HD3' ' B' ' 62' ' ' ARG . 70.1 mtm -69.16 -41.63 76.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.953 0.406 . . . . 0.0 110.269 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.81 -158.24 38.63 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.53 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.5 141.98 63.32 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.659 2.239 . . . . 0.0 111.887 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 16.5 m120 59.04 69.98 1.24 Allowed Pre-proline 0 N--CA 1.465 0.314 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.96 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . 0.413 ' HG3' ' HE2' ' B' ' 51' ' ' MET . 66.0 Cg_endo -88.86 165.62 5.97 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.808 2.338 . . . . 0.0 112.593 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.44 111.06 1.97 Allowed 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.651 2.234 . . . . 0.0 111.638 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -68.14 -21.94 64.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.726 -175.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.707 ' O ' ' HB2' ' B' ' 64' ' ' ARG . 5.3 p80 -70.45 -25.24 63.09 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.127 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.525 ' O ' ' HG2' ' B' ' 66' ' ' MET . 61.1 ttt180 -72.34 -30.67 64.95 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 176.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.04 -36.67 84.77 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.707 ' HB2' ' O ' ' B' ' 61' ' ' HIS . 3.0 mtp85 -51.4 -54.26 28.39 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.334 172.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.974 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -66.36 -40.92 90.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.787 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.525 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 94.3 mmm -63.33 -29.81 71.05 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.63 -177.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -55.14 -56.25 21.99 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.11 0.481 . . . . 0.0 110.637 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.499 HG22 ' HB1' ' A' ' 72' ' ' ALA . 91.7 m -72.58 -28.15 62.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.035 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -60.35 -54.16 49.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.493 176.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.7 ttt -57.62 -45.32 85.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.002 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.24 -43.12 99.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.358 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.489 ' HB2' HG22 ' A' ' 68' ' ' THR . . . -70.94 -36.66 72.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.287 -178.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.532 ' O ' HG21 ' B' ' 77' ' ' VAL . 50.6 mt-10 -62.23 -44.55 96.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.425 178.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.419 ' O ' HG21 ' B' ' 78' ' ' VAL . 43.6 t -59.64 -47.54 90.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.76 0.314 . . . . 0.0 110.437 175.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.42 86.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.779 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.604 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 45.2 tp10 -61.24 -48.25 82.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.536 176.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.532 HG21 ' O ' ' B' ' 73' ' ' GLU . 85.2 t -57.9 -41.95 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.419 HG21 ' O ' ' B' ' 74' ' ' VAL . 74.0 t -70.71 -47.83 61.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.212 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.85 -31.2 72.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.752 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 5.3 m -85.56 73.22 10.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.4 0.619 . . . . 0.0 110.483 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 72.8 p -153.95 163.53 23.66 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.007 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -62.02 146.47 96.22 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.829 1.686 . . . . 0.0 111.012 175.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -55.44 -32.64 82.91 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 111.884 -176.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -71.98 -22.1 61.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.596 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.448 ' O ' HG21 ' B' ' 89' ' ' VAL . 63.5 m -109.7 -19.02 13.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.611 -174.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -50.12 -46.76 54.06 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.671 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 47.7 t -61.24 -40.95 95.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.756 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.54 -42.2 74.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.958 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.448 HG21 ' O ' ' B' ' 85' ' ' SER . 46.8 t -63.41 -45.4 98.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.71 -50.83 72.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.546 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.58 -34.41 76.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.936 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 60.8 m -66.44 -51.42 57.11 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.18 0.514 . . . . 0.0 110.268 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' B' ' 93' ' ' ILE . 1.8 mm -64.85 -48.35 84.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.348 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.54 -38.36 80.36 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.934 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.19 -36.41 58.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.98 0.419 . . . . 0.0 110.598 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' CYS . . . . . 0.434 ' SG ' HD21 ' B' ' 22' ' ' LEU . 52.9 t -67.97 -32.91 73.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.394 -176.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 1.006 ' HG ' ' HE3' ' B' ' 18' ' ' MET . 6.0 mp -59.79 -42.75 94.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.669 0.271 . . . . 0.0 111.215 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' B' ' 98' ' ' ARG . 23.8 ttt85 -66.87 -37.5 84.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.952 0.406 . . . . 0.0 110.376 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.74 -52.33 26.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.029 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 70.2 m -55.08 -37.57 66.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.525 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.503 ' HE2' ' HE1' ' B' ' 18' ' ' MET . 17.8 mmt -64.85 -44.63 89.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.754 0.312 . . . . 0.0 110.619 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 14.6 ttm -70.36 -23.8 62.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.994 0.426 . . . . 0.0 111.021 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -89.29 -12.15 41.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.541 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -106.49 -53.91 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 111.464 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.42 HG21 ' HB ' ' B' ' 8' ' ' ILE . 61.6 p -105.41 -23.0 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.18 0.514 . . . . 0.0 110.82 -177.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 98.46 -14.15 62.32 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.557 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 13.0 m -121.15 160.16 24.33 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -177.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 58.9 t -96.91 106.25 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.9 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . 0.503 ' HB3' ' HE1' ' B' ' 101' ' ' MET . 11.3 t0 -73.61 98.73 2.91 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 172.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -80.14 -19.29 47.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.688 -176.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.41 -49.33 67.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.898 0.38 . . . . 0.0 110.372 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -66.59 -50.68 62.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.072 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.514 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 19.8 m -54.65 -47.55 73.41 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.158 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . 0.475 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 11.1 t30 -66.41 -38.13 86.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.676 0.274 . . . . 0.0 110.664 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . 0.426 ' HA ' HE21 ' B' ' 118' ' ' GLN . 9.2 tp10 -61.65 -45.26 94.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.608 -178.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.497 ' HA ' HD12 ' B' ' 119' ' ' LEU . 95.2 t -60.32 -38.77 78.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.993 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.58 ' HA ' ' HE2' ' B' ' 117' ' ' MET . 30.4 mmt -64.01 -36.61 84.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 36.0 mt-30 -72.09 -43.83 64.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' B' ' 116' ' ' VAL . 12.2 mt -54.52 -54.67 38.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.166 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.99 -32.07 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.616 -173.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -74.89 -34.54 62.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.483 ' HE1' HD21 ' A' ' 119' ' ' LEU . 45.6 ttp -69.34 -41.48 76.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.35 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.37 -32.8 74.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.777 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 34.1 t -81.39 -0.31 40.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.168 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -81.92 91.88 6.64 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.999 0.428 . . . . 0.0 110.387 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -65.74 121.66 15.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.549 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 18.3 m -83.31 133.92 34.95 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.111 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.27 10.97 13.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -72.44 91.9 1.41 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.794 175.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -84.99 90.02 7.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.426 0.631 . . . . 0.0 111.834 -174.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 28.7 m -92.9 -15.83 7.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 169.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 2.6 m -98.2 146.74 25.31 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.559 -1.201 . . . . 0.0 109.491 176.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.833 -0.603 . . . . 0.0 109.387 178.137 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 m -93.55 112.69 24.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.024 0.44 . . . . 0.0 110.61 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -144.97 64.95 0.45 Allowed Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.916 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.518 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 16.2 m120 -79.4 -17.97 53.26 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.639 0.733 . . . . 0.0 109.356 174.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 t -145.64 173.61 11.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.514 -1.221 . . . . 0.0 107.719 175.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 63.19 91.78 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 O-C-N 123.718 0.636 . . . . 0.0 109.393 -172.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.406 ' C ' ' H ' ' A' ' 9' ' ' TRP . 79.0 Cg_exo -40.29 130.6 2.37 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.669 2.913 . . . . 0.0 113.328 -173.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.483 HG21 HG22 ' A' ' 105' ' ' THR . 11.6 pt -70.73 7.58 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.073 -175.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.465 ' O ' HD13 ' A' ' 63' ' ' LEU . 41.4 m95 -78.35 25.61 0.23 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -177.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -85.83 -19.03 31.24 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 169.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -123.48 113.43 29.12 Favored Pre-proline 0 N--CA 1.455 -0.221 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.774 174.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -68.04 -32.76 27.35 Favored 'Trans proline' 0 C--N 1.333 -0.276 0 C-N-CA 122.639 2.226 . . . . 0.0 112.945 -171.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -77.29 -32.03 55.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.748 0.309 . . . . 0.0 110.8 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.58 -44.27 87.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.105 0.478 . . . . 0.0 109.867 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.13 -41.03 95.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.622 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 42.7 ttm -59.54 -33.19 71.08 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.992 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.6 m -65.04 -38.29 90.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.325 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.522 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -64.1 -38.37 90.83 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.826 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.507 ' HA ' ' HE1' ' A' ' 70' ' ' MET . 1.4 m -63.18 -46.99 84.5 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.737 177.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -66.12 -44.23 84.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.764 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -60.58 -33.59 72.94 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.344 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.68 HD21 HD13 ' A' ' 97' ' ' LEU . 48.8 mt -62.69 -43.61 98.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.744 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.1 t -65.46 -38.84 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.441 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -63.6 -44.02 95.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.583 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.1 t -59.38 -49.09 79.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.847 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.18 92.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.025 0.44 . . . . 0.0 111.055 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.1 t -70.68 -28.86 65.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.601 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -87.38 -32.61 19.49 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.884 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 p -71.87 -48.69 44.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.023 0.44 . . . . 0.0 110.471 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.25 13.14 81.59 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.198 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.601 HG11 HD12 ' A' ' 32' ' ' LEU . 14.0 p -78.7 -19.11 13.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.205 0.526 . . . . 0.0 109.999 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.601 HD12 HG11 ' A' ' 31' ' ' VAL . 6.3 mp -88.34 156.31 19.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.299 177.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.6 p -87.03 171.17 10.93 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.768 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.22 -39.16 81.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.828 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.82 -51.24 70.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.064 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.499 ' HB3' HG11 ' A' ' 77' ' ' VAL . 53.2 mt-30 -63.15 -39.95 96.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.06 -178.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 82.9 mmm -64.26 -41.23 97.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.833 -178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -70.47 -34.62 72.6 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.674 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -63.31 -44.5 94.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.234 0.54 . . . . 0.0 109.804 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 56.5 mmm -60.06 -41.83 93.22 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.423 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.72 -44.43 97.92 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.243 177.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.602 ' SD ' ' HG3' ' B' ' 62' ' ' ARG . 45.3 ttp -63.76 -31.79 73.08 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 121.241 -0.184 . . . . 0.0 110.839 178.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.446 ' O ' HG21 ' A' ' 47' ' ' VAL . 45.0 ttp -58.46 -52.35 66.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.926 0.393 . . . . 0.0 110.35 176.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.38 89.17 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.312 0.577 . . . . 0.0 110.779 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.24 -40.69 90.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.46 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.5 t -59.69 -47.93 83.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.701 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.485 ' O ' ' HG2' ' A' ' 51' ' ' MET . 6.4 t -61.87 -40.12 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -63.47 -52.03 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.326 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -61.36 -36.93 81.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.507 -173.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.565 ' O ' ' HG2' ' A' ' 54' ' ' MET . 15.6 mm100 -70.33 -32.4 70.11 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.015 178.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 93.6 mmm -66.8 -36.22 81.87 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.628 179.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -80.26 -17.75 51.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.986 0.422 . . . . 0.0 110.674 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HZ1' ' CG ' ' B' ' 45' ' ' ASP . 3.0 mmmm -73.67 -38.13 65.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.294 0.569 . . . . 0.0 110.126 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.565 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 21.0 ptp -94.61 -165.72 1.36 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.591 -174.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -111.45 -162.52 17.33 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.249 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -76.98 -10.59 18.07 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.99 2.46 . . . . 0.0 113.189 -176.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -139.58 77.77 27.74 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.722 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.534 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 58.5 Cg_endo -71.23 162.49 42.33 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.976 2.451 . . . . 0.0 112.611 175.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.407 ' O ' ' HB3' ' A' ' 62' ' ' ARG . 40.1 Cg_endo -67.16 151.56 81.14 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.706 2.271 . . . . 0.0 111.802 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -69.35 -28.92 66.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.355 -175.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.604 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 19.9 p80 -66.71 -25.46 66.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.933 0.397 . . . . 0.0 110.476 178.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.521 ' NH1' ' HG3' ' A' ' 66' ' ' MET . 0.2 OUTLIER -61.95 -36.47 81.53 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 175.623 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 9' ' ' TRP . 66.8 mt -75.59 -36.89 60.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.703 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.604 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 28.3 ptt180 -68.94 -37.08 78.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.687 -178.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.01 -46.19 58.14 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.014 0.435 . . . . 0.0 111.032 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.521 ' HG3' ' NH1' ' A' ' 62' ' ' ARG . 96.0 mmm -69.19 -24.04 63.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.839 -178.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -56.69 -51.06 70.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.136 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.472 HG23 ' HB2' ' B' ' 72' ' ' ALA . 7.6 m -71.85 -36.85 70.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.498 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -58.77 -51.04 71.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.634 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.507 ' HE1' ' HA ' ' A' ' 19' ' ' THR . 21.1 ttt -58.86 -46.48 87.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.733 0.301 . . . . 0.0 110.85 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.85 95.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.465 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.469 ' HB2' HG23 ' B' ' 68' ' ' THR . . . -65.68 -34.82 79.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.573 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.475 ' O ' HG21 ' A' ' 77' ' ' VAL . 43.9 mt-10 -62.87 -49.67 73.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.024 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.8 t -57.07 -43.27 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 121.05 0.452 . . . . 0.0 110.672 177.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.42 98.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.989 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.659 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 44.7 tp10 -58.98 -37.28 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.224 176.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.499 HG11 ' HB3' ' A' ' 36' ' ' GLN . 59.3 t -65.54 -38.62 82.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.329 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.401 HG13 ' HA ' ' A' ' 90' ' ' LEU . 25.3 t -87.52 -40.94 14.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.445 ' HB2' HG21 ' A' ' 120' ' ' VAL . . . -66.28 -24.34 66.55 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -173.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.7 p -91.16 7.58 39.94 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 95.4 p -88.74 158.68 47.56 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.467 -177.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.12 141.45 96.46 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.49 2.127 . . . . 0.0 111.332 176.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.71 -16.15 53.06 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.499 2.133 . . . . 0.0 112.204 -173.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -80.41 -7.79 59.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.994 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.5 m -136.96 1.49 2.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.028 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -57.6 -51.89 67.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.17 -178.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 p -66.19 -33.81 76.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.185 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.87 -52.46 50.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.814 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.435 HG12 ' HG ' ' A' ' 32' ' ' LEU . 68.4 t -62.57 -42.02 94.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.347 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.836 HD13 HG13 ' A' ' 120' ' ' VAL . 28.3 tp -63.0 -43.47 98.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.828 -178.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -65.1 -37.73 88.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.649 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 73.9 m -64.58 -47.14 79.79 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.077 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.5 mm -64.09 -49.44 81.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 177.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.61 -42.39 96.11 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.335 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -67.18 -45.42 77.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.904 0.383 . . . . 0.0 110.867 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 69.3 m -72.33 -22.18 61.21 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.883 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.68 HD13 HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -56.69 -50.5 71.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.599 0.714 . . . . 0.0 109.335 172.611 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.435 ' HA ' ' CG2' ' A' ' 108' ' ' VAL . 29.0 ttt180 -57.4 -49.15 77.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.939 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 36.2 mt-10 -68.95 -40.73 78.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.407 -176.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.8 m -56.82 -45.62 82.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.342 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.418 ' SD ' ' HG3' ' A' ' 18' ' ' MET . 15.0 mmt -62.58 -40.58 97.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.946 0.403 . . . . 0.0 110.459 177.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 34.1 ttm -71.4 -26.71 62.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.157 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -82.88 -27.76 30.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.787 0.327 . . . . 0.0 110.883 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.51 -60.53 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.266 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.483 HG22 HG21 ' A' ' 8' ' ' ILE . 69.8 p -97.39 -36.74 10.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.996 0.427 . . . . 0.0 111.068 -176.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.33 -9.37 8.31 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 -176.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.5 p -149.22 160.3 43.5 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 4' ' ' ASN . 2.7 p -93.69 119.45 41.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.109 0.48 . . . . 0.0 112.088 -175.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -76.93 134.85 38.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.413 173.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -86.85 -28.7 22.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.45 -51.59 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 111.318 -175.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -71.53 -44.58 64.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -178.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.526 ' HA ' HD22 ' A' ' 97' ' ' LEU . 30.1 m -61.69 -41.87 98.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -66.85 -41.77 86.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.492 178.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -55.91 -48.53 75.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.011 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.27 -39.46 80.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.308 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.538 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 30.4 mmt -68.35 -36.36 79.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.064 0.459 . . . . 0.0 110.465 -176.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -74.4 -38.27 63.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.707 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.486 HD23 ' HE1' ' B' ' 122' ' ' MET . 13.9 mt -60.04 -52.12 66.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.114 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.836 HG13 HD13 ' A' ' 90' ' ' LEU . 13.8 p -63.84 -33.25 60.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.534 -174.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -67.59 -49.24 64.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.361 176.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.497 ' HE3' HD23 ' B' ' 119' ' ' LEU . 34.8 ttp -65.43 -38.98 91.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.534 -177.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.461 HD21 HG21 ' B' ' 68' ' ' THR . 6.7 mp -62.55 -22.82 66.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 0.0 111.404 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.8 t -110.88 8.71 22.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.879 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -143.39 102.4 3.95 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.98 0.419 . . . . 0.0 111.814 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -132.95 134.83 45.04 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 172.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.2 p -78.01 28.11 0.18 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -176.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.82 -25.54 66.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.588 0.708 . . . . 0.0 110.612 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -87.57 104.39 16.45 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.541 177.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -79.03 97.19 6.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.627 -173.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 31.1 m -91.92 2.6 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.135 171.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 p -76.14 114.59 14.97 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.064 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 88.3 m . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.423 178.014 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.424 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m -154.26 104.9 2.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.103 0.478 . . . . 0.0 110.669 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -128.86 97.81 0.44 Allowed Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 177.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . 0.48 ' OD1' ' HB2' ' B' ' 107' ' ' SER . 92.4 m-20 -92.77 12.53 23.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.279 0.561 . . . . 0.0 110.32 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' B' ' 6' ' ' GLN . 37.5 t -142.04 155.33 45.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.021 179.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' B' ' 5' ' ' SER . 27.4 mt-30 70.32 125.88 0.03 OUTLIER Pre-proline 0 N--CA 1.463 0.203 0 O-C-N 124.007 0.817 . . . . 0.0 110.859 -175.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.82 126.08 20.76 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 123.082 2.521 . . . . 0.0 112.785 -177.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 pp -73.73 -6.27 8.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.568 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -73.22 71.28 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.376 0.608 . . . . 0.0 111.989 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.9 p -128.93 -1.13 5.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.805 172.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -136.22 128.74 17.56 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.767 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -69.66 -43.92 2.45 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.528 2.152 . . . . 0.0 112.327 -175.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -66.57 -40.2 88.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.058 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.3 94.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.706 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.09 -42.21 89.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.815 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 43.8 ttm -59.61 -32.32 70.3 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.811 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 50.8 m -62.0 -40.62 96.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.321 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.501 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.99 -40.6 96.74 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.373 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.28 -44.55 96.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.722 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -65.84 -44.35 85.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.85 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -61.67 -32.57 72.76 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.263 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.729 HD22 HD12 ' B' ' 97' ' ' LEU . 40.0 mt -62.83 -42.59 99.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.762 0.315 . . . . 0.0 111.224 177.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 82.4 t -63.99 -39.41 85.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.476 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -60.08 -47.01 87.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.186 175.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 4.0 t -56.81 -49.53 75.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.286 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.0 90.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.913 0.387 . . . . 0.0 111.179 -178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 44.8 t -69.15 -38.83 79.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.002 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -83.49 -12.4 56.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.585 0.231 . . . . 0.0 111.393 -177.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.491 ' HB2' HG21 ' B' ' 31' ' ' VAL . 26.5 p -91.41 -41.63 10.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.87 0.366 . . . . 0.0 110.608 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.88 16.22 80.55 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.455 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.491 HG21 ' HB2' ' B' ' 29' ' ' SER . 29.5 t -77.56 -32.93 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.219 0.533 . . . . 0.0 110.379 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.535 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.5 mp -94.02 153.79 17.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.87 -175.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 40.9 p -87.83 175.01 8.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.709 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.45 -40.47 78.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.736 0.303 . . . . 0.0 111.159 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.56 ' O ' ' HB2' ' B' ' 39' ' ' ASP . 32.3 t70 -60.71 -39.88 90.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.751 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.535 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 51.8 mt-30 -75.83 -40.27 55.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.803 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 80.3 mmm -63.66 -47.96 79.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.0 -29.56 68.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.019 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.56 ' HB2' ' O ' ' B' ' 35' ' ' ASP . 2.4 t0 -64.11 -50.1 69.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.98 175.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.45 ' O ' ' HB3' ' B' ' 43' ' ' MET . 85.9 mtp -64.73 -30.65 71.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.689 176.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.58 -44.24 96.83 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.879 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 47.2 ttp -65.17 -30.59 71.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 0.0 110.363 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' MET . . . . . 0.45 ' HB3' ' O ' ' B' ' 40' ' ' MET . 43.3 ttp -59.17 -52.35 66.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.641 175.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.68 94.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.118 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.459 ' CG ' ' HZ1' ' A' ' 53' ' ' LYS . 12.3 t70 -57.59 -45.17 85.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.04 177.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -56.9 -49.24 76.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 31.7 t -62.96 -43.81 99.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.832 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -64.37 -41.23 96.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.519 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.406 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 36.9 m -65.28 -45.83 82.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 -177.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.88 -35.6 81.64 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.959 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.44 ' HE1' ' HB3' ' B' ' 51' ' ' MET . 15.0 tmm? -57.16 -49.4 76.06 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.324 176.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -78.73 -14.35 59.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 111.368 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' B' ' 49' ' ' SER . 8.3 mmmm -71.13 -13.67 62.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.146 0.498 . . . . 0.0 110.623 173.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' MET . . . . . 0.428 ' SD ' ' HD2' ' B' ' 62' ' ' ARG . 72.2 mtm -118.58 -175.58 2.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.514 -177.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -119.64 -168.05 13.8 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.0 141.34 96.2 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.876 2.384 . . . . 0.0 112.624 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 59.57 83.62 0.21 Allowed Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.248 -177.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -86.91 159.09 8.81 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.036 2.491 . . . . 0.0 112.227 178.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.401 ' HG2' ' CB ' ' B' ' 62' ' ' ARG . 17.8 Cg_endo -61.0 137.78 74.29 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.992 2.462 . . . . 0.0 112.157 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -75.28 -35.33 61.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.935 -174.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.826 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 30.4 p80 -63.42 -27.57 69.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.408 0.623 . . . . 0.0 109.984 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.602 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 28.7 ttm180 -70.34 -27.1 64.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.199 0.523 . . . . 0.0 109.692 178.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 98.3 mt -74.92 -37.21 62.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.678 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.826 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 25.5 ptt180 -61.55 -37.48 83.93 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.659 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -67.68 -46.82 71.23 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.982 178.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 97.1 mmm -65.24 -30.89 71.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.84 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . 0.413 ' HB3' ' O ' ' B' ' 64' ' ' ARG . 8.9 t-20 -53.27 -55.18 26.66 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.931 176.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.469 HG23 ' HB2' ' A' ' 72' ' ' ALA . 20.5 m -72.35 -28.3 62.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.933 -177.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -61.71 -54.57 40.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.552 176.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 18.8 ttt -57.83 -47.6 82.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.911 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.44 97.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.534 -178.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.472 ' HB2' HG23 ' A' ' 68' ' ' THR . . . -67.58 -37.03 82.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.334 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 44.6 mt-10 -63.3 -46.22 87.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.509 178.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.454 ' O ' HG22 ' B' ' 78' ' ' VAL . 67.6 t -58.51 -47.89 87.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.851 0.358 . . . . 0.0 110.61 176.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.3 87.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.028 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.98 -48.84 80.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.185 177.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.485 HG21 ' O ' ' B' ' 73' ' ' GLU . 84.0 t -60.48 -35.77 65.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.34 -178.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.454 HG22 ' O ' ' B' ' 74' ' ' VAL . 61.6 t -78.31 -41.25 25.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.965 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.404 ' HA ' ' CE2' ' B' ' 86' ' ' TYR . . . -71.18 -44.46 65.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.54 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 3.1 m -84.27 68.48 10.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.611 0.72 . . . . 0.0 110.406 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 83.3 p -139.8 165.87 28.02 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.965 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.52 140.7 74.9 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 121.917 1.745 . . . . 0.0 111.103 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.07 -11.77 32.56 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.273 1.982 . . . . 0.0 111.863 -174.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -96.77 -6.47 36.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.716 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.434 ' O ' HG22 ' B' ' 89' ' ' VAL . 28.6 m -117.21 -13.9 10.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 -177.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . 0.433 ' OH ' HG21 ' B' ' 120' ' ' VAL . 17.9 t80 -48.34 -59.55 3.36 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.551 -178.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 9.3 m -59.87 -41.51 91.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.063 -174.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.82 -46.96 85.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.064 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.434 HG22 ' O ' ' B' ' 85' ' ' SER . 88.5 t -63.65 -43.89 98.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.384 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 tt -58.05 -49.36 77.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.417 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -60.85 -31.06 70.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.106 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 52.9 m -69.98 -57.6 4.82 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.095 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' B' ' 93' ' ' ILE . 3.2 mm -60.98 -45.54 98.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.248 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.95 -40.56 95.54 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 121.096 -0.573 . . . . 0.0 113.222 -177.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.16 -38.86 60.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.707 0.289 . . . . 0.0 111.23 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' CYS . . . . . 0.53 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 93.7 m -73.93 -27.09 60.85 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.325 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.729 HD12 HD22 ' B' ' 22' ' ' LEU . 0.8 OUTLIER -51.56 -40.31 59.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.394 0.616 . . . . 0.0 110.248 174.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.475 ' HG3' HG21 ' B' ' 108' ' ' VAL . 62.1 ttt-85 -66.16 -46.41 77.54 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.406 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.53 ' HG2' ' HA ' ' B' ' 96' ' ' CYS . 10.3 pt-20 -81.58 -30.79 32.87 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.599 -0.441 . . . . 0.0 111.781 -176.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 58.2 m -58.13 -42.49 85.91 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 120.718 0.295 . . . . 0.0 110.374 176.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.451 ' HE1' ' HB3' ' B' ' 109' ' ' ASP . 12.5 mmt -65.1 -41.57 94.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.3 175.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.44 ' HE1' ' HB2' ' B' ' 102' ' ' MET . 28.2 ttm -67.04 -28.49 68.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.133 -178.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -85.51 -16.95 37.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.976 0.417 . . . . 0.0 110.618 176.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.99 -47.66 7.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 70.1 p -110.75 -42.55 4.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.081 0.467 . . . . 0.0 111.071 -178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 130.7 -14.26 5.54 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -175.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' SER . . . . . 0.48 ' HB2' ' OD1' ' B' ' 4' ' ' ASN . 13.2 p -137.5 179.09 6.62 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.069 -0.565 . . . . 0.0 109.487 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.475 HG21 ' HG3' ' B' ' 98' ' ' ARG . 2.5 p -109.55 117.07 53.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.371 0.605 . . . . 0.0 111.79 -176.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . 0.451 ' HB3' ' HE1' ' B' ' 101' ' ' MET . 14.0 t0 -73.98 102.45 4.14 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.308 174.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -73.99 -27.6 61.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 -177.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.34 -50.27 68.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.913 0.387 . . . . 0.0 110.547 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . 0.49 ' O ' HG22 ' B' ' 116' ' ' VAL . 90.6 t80 -64.88 -47.48 77.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.04 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.52 ' HA ' HD21 ' B' ' 97' ' ' LEU . 33.4 m -57.31 -45.52 84.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.404 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -64.38 -42.73 95.99 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.405 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.14 -44.43 94.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.105 -177.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.526 ' HA ' HD11 ' B' ' 119' ' ' LEU . 60.9 t -60.09 -35.93 64.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.843 0.354 . . . . 0.0 110.943 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.559 ' HA ' ' HE2' ' B' ' 117' ' ' MET . 26.3 mmt -70.42 -35.16 73.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.999 0.428 . . . . 0.0 110.37 -177.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -71.18 -39.92 71.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.321 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' B' ' 116' ' ' VAL . 15.2 mt -58.15 -53.55 56.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.257 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . 0.433 HG21 ' OH ' ' B' ' 86' ' ' TYR . 14.1 p -63.44 -34.05 65.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.997 -176.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -65.46 -48.02 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.778 176.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.486 ' HE1' HD23 ' A' ' 119' ' ' LEU . 34.5 ttp -62.63 -37.36 86.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.682 -177.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 8.0 mp -61.53 -25.64 67.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.886 0.374 . . . . 0.0 111.198 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 34.3 t -102.66 6.13 39.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.908 0.385 . . . . 0.0 110.674 178.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -110.93 31.62 5.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.258 0.551 . . . . 0.0 111.168 -176.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -95.23 118.37 31.89 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.74 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 19.9 m -123.22 98.27 5.8 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.087 176.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.82 -27.88 62.22 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.73 0.776 . . . . 0.0 110.029 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -107.53 112.84 25.79 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.352 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -82.68 134.74 35.15 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 27.2 m -81.0 20.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.963 -168.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 48.4 m -95.34 150.64 20.04 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.698 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 21.3 m . . . . . 0 C--O 1.247 0.974 0 CA-C-O 118.587 -0.72 . . . . 0.0 110.372 -178.333 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.809 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 t -171.43 174.09 4.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 132.15 -34.5 2.52 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.909 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -104.37 -16.99 14.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.254 0.549 . . . . 0.0 110.036 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 10.7 m -106.77 124.71 50.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.043 174.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' A' ' 5' ' ' SER . 15.0 mm100 67.68 170.11 0.11 Allowed Pre-proline 0 CA--C 1.537 0.448 0 O-C-N 123.646 0.591 . . . . 0.0 111.447 -176.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -64.31 -169.1 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.701 2.267 . . . . 0.0 112.499 174.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.2 pt -70.89 -3.78 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -176.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -76.61 78.33 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.711 0.767 . . . . 0.0 111.698 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.448 ' HA ' HD13 ' A' ' 63' ' ' LEU . 26.8 m -137.2 -34.36 0.72 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.811 171.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -101.54 114.85 65.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.277 171.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -59.69 -43.15 40.54 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.615 2.21 . . . . 0.0 111.814 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -68.11 -36.73 80.22 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.108 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.99 -41.8 95.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.457 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.52 86.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.379 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.51 ' HG2' ' ND2' ' A' ' 20' ' ' ASN . 42.0 ttm -60.89 -25.36 66.66 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.833 178.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.0 m -62.61 -41.0 98.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.194 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.809 ' SD ' ' HE3' ' A' ' 101' ' ' MET . 7.5 ttt -64.9 -42.42 94.78 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 175.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.41 ' O ' HG21 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -59.58 -44.26 93.4 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.857 -179.631 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.51 ' ND2' ' HG2' ' A' ' 16' ' ' MET . 28.8 m-80 -71.02 -45.54 63.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.366 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -61.06 -34.03 74.25 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.92 0.39 . . . . 0.0 110.613 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.65 HD11 HD11 ' A' ' 97' ' ' LEU . 12.2 tp -63.41 -48.64 76.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.207 177.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.449 HG22 ' HB3' ' A' ' 40' ' ' MET . 88.0 t -64.09 -41.34 92.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.772 178.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.655 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 47.2 mt-30 -60.39 -46.71 89.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.548 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.62 -48.44 77.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.761 0.315 . . . . 0.0 110.882 176.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.4 96.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.128 0.489 . . . . 0.0 111.079 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.2 t -66.85 -28.03 68.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.921 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.655 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 32.8 mtp180 -86.47 -45.11 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.491 ' HB2' HG23 ' A' ' 31' ' ' VAL . 19.0 p -58.63 -52.24 66.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.951 0.405 . . . . 0.0 110.563 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.71 19.51 70.61 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.279 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.491 HG23 ' HB2' ' A' ' 29' ' ' SER . 7.8 t -75.73 -26.41 17.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.681 0.753 . . . . 0.0 109.097 175.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.463 ' HG ' HG11 ' A' ' 89' ' ' VAL . 5.1 mp -93.99 152.31 18.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.376 -177.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.8 p -84.76 172.97 11.05 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.478 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.78 77.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.847 0.356 . . . . 0.0 110.836 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -60.61 -53.12 61.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.132 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.509 ' HB3' HG13 ' A' ' 77' ' ' VAL . 51.7 mt-30 -60.47 -38.92 85.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.817 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 78.3 mmm -64.9 -39.46 93.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.616 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.595 ' O ' ' HG2' ' A' ' 42' ' ' MET . 69.1 m-20 -64.4 -43.61 93.89 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.076 -0.249 . . . . 0.0 110.737 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -45.37 81.23 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.363 0.414 . . . . 0.0 110.762 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.501 ' O ' ' HB3' ' A' ' 43' ' ' MET . 90.4 mtp -70.08 -35.64 74.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.821 0.343 . . . . 0.0 111.174 178.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.85 -49.77 74.94 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.04 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.595 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 9.2 ptm -69.83 -20.82 63.42 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.222 -0.191 . . . . 0.0 111.121 178.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.501 ' HB3' ' O ' ' A' ' 40' ' ' MET . 54.0 ttp -59.26 -56.53 20.92 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 109.948 173.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.01 -39.64 90.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.567 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.558 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 6.5 t70 -59.16 -47.98 83.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.853 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.3 m -61.25 -41.32 96.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.833 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.503 ' HA ' ' HE1' ' A' ' 66' ' ' MET . 40.4 t -62.12 -36.3 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.277 0.56 . . . . 0.0 110.339 177.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.436 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 39.7 t-20 -66.02 -47.38 74.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.578 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 54.6 m -67.76 -25.94 65.87 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.57 ' O ' ' HG2' ' A' ' 54' ' ' MET . 16.7 mt-30 -81.99 -15.95 51.98 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.2 177.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.494 ' HA ' ' HG2' ' A' ' 54' ' ' MET . 34.2 mtp -74.35 -21.26 59.77 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 168.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -83.16 -27.85 29.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.476 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HE3' ' HB3' ' A' ' 53' ' ' LYS . 25.4 mmmt -67.48 -31.41 71.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.649 173.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.831 ' HB2' ' HB3' ' A' ' 58' ' ' PRO . 22.3 ptp -101.98 -165.73 1.22 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.629 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 58' ' ' PRO . . . -151.81 -147.58 4.61 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.368 -178.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -69.84 -14.15 35.44 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.372 2.715 . . . . 0.0 112.439 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -144.67 72.99 15.4 Favored Pre-proline 0 C--N 1.316 -0.873 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.83 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.831 ' HB3' ' HB2' ' A' ' 54' ' ' MET . 57.2 Cg_endo -71.4 159.03 52.76 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.82 2.347 . . . . 0.0 113.389 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.575 ' HG2' ' HG2' ' A' ' 62' ' ' ARG . 36.4 Cg_endo -66.84 129.43 20.87 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.925 2.417 . . . . 0.0 111.261 174.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -61.99 -20.02 63.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.843 -176.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.425 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 90.9 m-70 -62.11 -33.63 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.277 178.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.575 ' HG2' ' HG2' ' A' ' 59' ' ' PRO . 30.1 mmt180 -62.06 -42.57 99.33 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 10' ' ' THR . 93.9 mt -62.64 -48.91 77.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.035 -177.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 61' ' ' HIS . 4.0 ptm180 -64.34 -40.77 96.54 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.699 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.482 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -72.98 -44.71 60.74 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -177.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.504 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 79.0 mtp -71.71 -20.97 61.84 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.77 -176.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -55.59 -53.88 50.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.161 173.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.6 m -72.73 -34.04 66.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.624 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.468 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -59.31 -47.77 84.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.704 -178.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.1 ttt -61.53 -42.95 99.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.759 0.314 . . . . 0.0 110.866 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.442 ' HB2' HG22 ' A' ' 116' ' ' VAL . . . -64.74 -45.49 86.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.202 -178.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.515 ' HB1' HG21 ' B' ' 68' ' ' THR . . . -63.49 -37.28 86.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.529 ' O ' HG21 ' A' ' 77' ' ' VAL . 47.7 mt-10 -65.22 -37.05 86.06 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.79 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.25 -45.1 86.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.002 0.43 . . . . 0.0 110.553 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.59 97.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.507 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.47 ' OE1' ' HA ' ' B' ' 65' ' ' ALA . 10.7 pt-20 -62.29 -35.88 80.38 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.529 HG21 ' O ' ' A' ' 73' ' ' GLU . 49.7 t -66.4 -45.86 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.91 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.82 -41.54 92.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.695 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.18 -30.91 70.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.755 -179.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.0 m -82.43 71.46 9.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.562 0.696 . . . . 0.0 110.404 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.9 p -154.56 167.95 12.91 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.974 178.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.89 134.81 62.65 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.649 1.566 . . . . 0.0 110.109 172.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.69 -13.06 34.48 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.43 2.086 . . . . 0.0 112.31 -171.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -88.81 -23.2 22.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.775 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 t -104.6 -10.63 17.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.22 0.534 . . . . 0.0 109.793 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -45.58 -53.79 8.58 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.474 176.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.1 m -59.14 -36.19 74.82 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.326 -177.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.75 62.08 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.942 0.401 . . . . 0.0 110.681 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.463 HG11 ' HG ' ' A' ' 32' ' ' LEU . 63.7 t -62.09 -43.34 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.092 178.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.74 -49.04 77.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.256 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -59.56 -40.59 87.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.07 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.2 m -67.16 -48.91 66.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -178.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.483 HD11 ' HA ' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -63.79 -48.51 86.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.621 178.222 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.31 -43.35 75.6 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.503 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -69.39 -46.89 65.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.632 0.253 . . . . 0.0 111.02 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.1 m -70.02 -18.13 63.29 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -175.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.65 HD11 HD11 ' A' ' 22' ' ' LEU . 3.8 mp -63.35 -50.58 69.41 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.324 0.583 . . . . 0.0 109.728 172.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.517 ' HG3' HG21 ' A' ' 108' ' ' VAL . 68.9 ttt180 -59.99 -43.29 95.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.445 178.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 43.6 mt-10 -63.66 -50.26 69.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.983 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 71.6 m -55.18 -45.68 75.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.792 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.809 ' HE3' ' SD ' ' A' ' 18' ' ' MET . 13.3 mmt -59.41 -43.13 93.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.066 0.46 . . . . 0.0 111.012 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.5 ttm -69.12 -25.99 64.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.198 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -88.96 -24.05 22.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.774 0.321 . . . . 0.0 111.089 178.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.88 -56.84 3.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.458 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 80.5 p -107.71 -29.68 8.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.037 0.446 . . . . 0.0 111.0 -176.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.77 -13.11 32.38 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.4 m -127.58 147.37 50.34 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.517 HG21 ' HG3' ' A' ' 98' ' ' ARG . 3.4 p -96.78 117.16 40.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.264 0.554 . . . . 0.0 111.343 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -77.99 113.41 15.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.343 172.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -81.66 -21.54 38.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.917 -175.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.78 -51.44 68.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.89 0.376 . . . . 0.0 110.63 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.58 -51.75 57.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.342 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.511 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 20.1 m -51.44 -47.09 63.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.976 178.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.54 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 65.2 t30 -69.73 -40.99 75.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.548 0.213 . . . . 0.0 110.721 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -56.87 -43.46 81.23 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.97 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.456 HG23 HD23 ' A' ' 97' ' ' LEU . 93.9 t -62.45 -36.86 76.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.83 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.563 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 23.4 mmt -67.39 -36.48 81.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.035 0.445 . . . . 0.0 109.909 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 114' ' ' ASN . 79.6 mt-30 -66.89 -49.84 64.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.829 176.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.463 HD23 ' HE2' ' B' ' 122' ' ' MET . 29.3 mt -56.68 -50.09 73.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.859 -178.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.8 p -65.17 -32.61 59.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.603 -173.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -73.49 -39.67 64.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.198 0.523 . . . . 0.0 110.182 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.533 ' HE1' HD23 ' B' ' 119' ' ' LEU . 35.2 ttp -70.35 -36.98 74.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.472 -177.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 80.0 mt -74.03 0.48 13.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.204 0.526 . . . . 0.0 111.339 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.8 m -122.55 9.06 9.58 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.915 174.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -95.65 22.79 6.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.552 -175.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -115.36 71.14 0.76 Allowed 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.171 174.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.1 p -142.98 104.8 4.36 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.631 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -95.41 -0.57 52.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.447 0.641 . . . . 0.0 109.998 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -91.35 134.74 34.34 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.351 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 130' ' ' GLU . 0.6 OUTLIER -96.65 143.15 27.88 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.722 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.2 m -94.8 -12.28 8.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.374 -174.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.0 p -71.48 107.48 4.41 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.901 175.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.3 m . . . . . 0 C--N 1.321 -0.665 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.745 -176.121 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -176.37 158.19 1.81 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.34 -36.82 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.39 -0.91 . . . . 0.0 113.28 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -109.74 -9.06 14.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.125 0.463 . . . . 0.0 111.167 -175.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.5 p -142.27 -176.09 4.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 70.35 158.6 0.16 Allowed Pre-proline 0 CA--C 1.532 0.254 0 O-C-N 123.919 0.762 . . . . 0.0 112.334 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -58.6 167.15 5.42 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.098 2.532 . . . . 0.0 112.573 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.59 ' HB ' HG23 ' B' ' 105' ' ' THR . 3.5 pt -74.79 -0.73 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.359 -173.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -79.23 29.35 0.22 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.137 0.494 . . . . 0.0 111.581 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.429 ' H ' ' C ' ' B' ' 8' ' ' ILE . 18.1 m -88.91 -18.99 26.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.449 173.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.471 ' HB3' ' HB1' ' B' ' 14' ' ' ALA . 21.9 t-20 -131.44 125.33 20.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.745 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -69.01 -44.8 2.34 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.498 2.132 . . . . 0.0 112.798 -176.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -66.95 -41.31 87.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.96 0.409 . . . . 0.0 110.5 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' B' ' 11' ' ' ASN . . . -63.08 -43.62 98.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.782 178.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.464 ' HA ' HD13 ' B' ' 8' ' ' ILE . . . -65.98 -38.93 89.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.356 177.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 47.3 ttm -61.77 -25.31 67.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.88 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.3 m -66.22 -35.47 80.51 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 1.079 ' HE2' ' HG ' ' B' ' 97' ' ' LEU . 0.2 OUTLIER -64.73 -43.33 93.72 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 175.135 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.441 HG21 ' HE1' ' B' ' 43' ' ' MET . 0.2 OUTLIER -61.2 -43.82 98.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.698 177.72 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -64.79 -50.48 66.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.964 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -62.38 -30.23 71.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.587 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.67 HD11 HD13 ' B' ' 97' ' ' LEU . 13.8 tp -63.63 -49.06 74.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.629 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.509 HG22 ' HB3' ' B' ' 40' ' ' MET . 59.6 t -63.46 -41.3 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.348 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.457 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 50.2 mt-30 -59.23 -48.09 82.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.723 177.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 49.3 t -61.8 -34.53 76.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.886 0.374 . . . . 0.0 110.745 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.94 79.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.109 0.481 . . . . 0.0 110.955 177.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 30.4 t -72.23 -32.29 66.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.188 0.518 . . . . 0.0 110.353 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' B' ' 24' ' ' GLN . 58.8 mtp85 -71.6 -32.44 68.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.107 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.3 p -80.07 -49.79 11.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.469 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.87 26.8 52.56 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.694 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 20.2 t -84.37 -27.64 7.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.319 0.581 . . . . 0.0 110.59 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.415 HD11 ' N ' ' B' ' 32' ' ' LEU . 5.5 mp -92.19 155.17 18.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.371 -171.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 56.7 p -84.14 171.73 12.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.645 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.32 88.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.502 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.403 ' HA ' ' HE1' ' A' ' 61' ' ' HIS . 3.0 t70 -60.81 -40.21 91.84 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.064 0.459 . . . . 0.0 109.914 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.433 ' HB3' HG11 ' B' ' 77' ' ' VAL . 52.0 mt-30 -71.47 -42.06 68.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.674 178.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 85.7 mmm -64.98 -43.54 92.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.322 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' B' ' 42' ' ' MET . 27.6 m-20 -62.17 -42.06 98.91 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.211 176.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.447 ' HB3' HG22 ' B' ' 77' ' ' VAL . 3.8 t70 -59.52 -45.24 92.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.134 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.555 ' O ' ' HB3' ' B' ' 43' ' ' MET . 90.9 mtp -68.8 -36.48 78.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.122 177.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.3 -51.14 60.6 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.626 177.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.482 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 4.8 ptm -74.13 -15.29 61.04 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.03 178.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' MET . . . . . 0.555 ' HB3' ' O ' ' B' ' 40' ' ' MET . 49.5 ttp -60.43 -51.38 69.73 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 171.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.65 -33.89 76.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.204 176.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.482 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 22.3 t70 -66.11 -36.44 83.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.909 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 38.7 m -67.95 -38.28 82.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 0.0 110.205 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.465 HG23 ' HE3' ' B' ' 66' ' ' MET . 52.7 t -62.7 -41.54 92.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 121.413 0.625 . . . . 0.0 109.42 173.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.86 -42.84 94.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.35 175.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 50.6 m -63.83 -30.62 71.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.288 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.631 ' O ' ' HG2' ' B' ' 54' ' ' MET . 17.6 mt-30 -81.83 -19.24 41.51 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.071 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.548 ' HA ' ' HG2' ' B' ' 54' ' ' MET . 22.5 mtp -76.87 -27.68 55.14 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.978 175.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -85.11 -17.63 36.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.064 0.459 . . . . 0.0 110.272 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -73.06 -33.09 65.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.808 170.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' MET . . . . . 0.631 ' HG2' ' O ' ' B' ' 50' ' ' GLN . 23.1 ptp -97.33 -159.95 0.77 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.39 174.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . 0.416 ' HA3' ' HD2' ' B' ' 56' ' ' PRO . . . -176.85 -138.46 2.94 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.518 178.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' PRO . . . . . 0.416 ' HD2' ' HA3' ' B' ' 55' ' ' GLY . 38.7 Cg_endo -65.49 112.34 2.11 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.559 2.172 . . . . 0.0 111.415 176.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 64.77 86.51 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.255 -175.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . 0.488 ' HB3' ' HB2' ' B' ' 54' ' ' MET . 97.0 Cg_endo -85.34 161.77 11.23 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.708 2.272 . . . . 0.0 113.333 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.572 ' HG2' ' HG2' ' B' ' 62' ' ' ARG . 55.3 Cg_endo -72.93 137.73 27.28 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.852 2.368 . . . . 0.0 112.06 177.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -57.22 -32.98 67.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.788 -177.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -56.74 -40.07 75.1 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.831 0.348 . . . . 0.0 111.236 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.572 ' HG2' ' HG2' ' B' ' 59' ' ' PRO . 36.8 mmt180 -60.85 -40.58 93.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.849 -177.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.02 -40.56 78.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.59 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' B' ' 64' ' ' ARG . 14.4 ttp-105 -59.76 -46.77 88.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.115 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.47 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -68.91 -37.45 78.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.178 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.465 ' HE3' HG23 ' B' ' 47' ' ' VAL . 0.0 OUTLIER -59.84 -38.32 81.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.251 179.35 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . 0.498 ' C ' HD21 ' B' ' 67' ' ' ASN . 0.2 OUTLIER -55.98 -50.74 69.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.119 178.775 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.515 HG21 ' HB1' ' A' ' 72' ' ' ALA . 1.9 m -74.12 -42.6 59.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.087 -177.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -60.12 -53.34 58.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.622 -177.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.3 ttt -59.5 -43.33 93.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.826 0.346 . . . . 0.0 110.992 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.38 91.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -178.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.5 -35.45 79.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.972 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.549 ' O ' HG21 ' B' ' 77' ' ' VAL . 47.6 mt-10 -62.74 -43.41 98.87 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 110.316 177.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.84 -45.4 98.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.063 0.458 . . . . 0.0 110.712 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.27 -43.25 99.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.552 -178.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.482 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 6.4 pt-20 -67.91 -34.67 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.428 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.549 HG21 ' O ' ' B' ' 73' ' ' GLU . 55.6 t -61.33 -41.11 88.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.906 0.384 . . . . 0.0 110.261 176.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.7 t -73.71 -49.96 32.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.788 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.58 91.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.838 -177.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 8.3 m -84.55 74.5 10.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.542 0.687 . . . . 0.0 110.338 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.3 p -153.54 169.26 10.12 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 114.883 -1.053 . . . . 0.0 108.518 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.98 137.45 72.19 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.768 1.646 . . . . 0.0 110.678 172.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.56 -17.54 58.86 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.429 2.086 . . . . 0.0 111.94 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -74.02 -22.91 59.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.131 178.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 5.9 p -117.37 -7.43 11.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.518 -176.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -51.96 -51.04 59.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.759 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 12.5 p -63.26 -39.55 94.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.179 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.09 77.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.768 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.16 -42.26 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.359 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 tt -58.55 -54.1 50.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.748 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -61.25 -36.61 80.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.825 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.8 m -64.8 -53.33 48.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.66 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.7 OUTLIER -58.25 -44.19 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.025 179.036 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.99 -39.01 91.28 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.728 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.11 -43.74 56.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.759 0.314 . . . . 0.0 110.496 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 90.2 m -58.91 -38.19 78.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.316 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 1.079 ' HG ' ' HE2' ' B' ' 18' ' ' MET . 1.9 mp -54.6 -49.47 70.37 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.648 0.261 . . . . 0.0 111.43 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -59.94 -45.83 91.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.564 -176.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.25 -44.68 68.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.083 -177.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 69.2 m -52.81 -38.98 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.485 ' HE3' ' HG3' ' B' ' 18' ' ' MET . 12.4 mmt -62.15 -49.08 77.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.888 0.375 . . . . 0.0 110.902 177.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.428 ' HE1' HG21 ' B' ' 108' ' ' VAL . 29.6 ttm -67.42 -28.61 68.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -87.1 -0.95 57.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.304 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -112.0 -54.16 2.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.332 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.59 HG23 ' HB ' ' B' ' 8' ' ' ILE . 81.4 p -109.54 -17.08 13.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.115 0.483 . . . . 0.0 111.281 -176.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.25 -3.83 76.63 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.556 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 14.8 m -131.8 156.6 45.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.428 HG21 ' HE1' ' B' ' 102' ' ' MET . 75.2 t -103.5 114.71 43.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.876 0.37 . . . . 0.0 110.865 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -84.71 130.27 34.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.217 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -92.68 -27.33 17.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.182 -177.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.2 86.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.989 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . 0.437 ' O ' HG21 ' B' ' 116' ' ' VAL . 83.0 t80 -71.5 -51.11 25.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.323 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.556 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 18.2 m -56.05 -39.66 72.36 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.374 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -74.04 -39.76 63.3 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.443 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.76 -46.0 88.46 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.459 ' HA ' HD12 ' B' ' 119' ' ' LEU . 87.7 t -59.02 -40.29 80.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.28 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.597 ' HA ' ' HE2' ' B' ' 117' ' ' MET . 27.1 mmt -65.19 -37.75 88.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -178.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -71.16 -44.63 65.14 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.533 HD23 ' HE1' ' A' ' 122' ' ' MET . 9.7 mt -52.67 -49.29 65.53 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.484 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.4 p -71.65 -40.64 70.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.686 -173.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -67.61 -33.25 74.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.773 0.32 . . . . 0.0 110.74 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.463 ' HE2' HD23 ' A' ' 119' ' ' LEU . 42.7 ttp -62.2 -46.47 88.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.688 178.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 98.5 mt -68.69 -26.17 65.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.732 -179.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 40.9 t -71.65 -22.39 61.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.166 0.507 . . . . 0.0 110.74 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -97.25 20.83 10.84 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.002 -176.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -107.16 25.41 11.42 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.175 0.988 . . . . 0.0 108.963 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 5.5 p -103.54 144.36 31.52 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.045 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -131.05 44.26 2.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.126 0.488 . . . . 0.0 110.796 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -128.43 138.29 52.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.847 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.02 157.25 19.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.888 0.375 . . . . 0.0 111.218 -177.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 17.4 m -127.72 11.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.646 -176.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 2.4 p -71.78 136.25 47.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.158 0.504 . . . . 0.0 111.895 -176.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 26.6 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.951 -0.547 . . . . 0.0 110.014 178.69 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 112.213 -0.355 . . . . 0.0 112.213 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -111.98 171.03 7.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.717 0.294 . . . . 0.0 111.011 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 93.03 -58.7 2.42 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.157 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -161.17 152.12 18.47 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 m -77.27 122.79 25.57 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -81.32 117.9 70.07 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.003 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.539 ' HA ' ' OD2' ' A' ' 109' ' ' ASP . 71.6 Cg_exo -48.64 130.63 22.68 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 122.931 2.421 . . . . 0.0 112.362 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.473 HG23 HG22 ' A' ' 105' ' ' THR . 5.6 pt -79.78 -1.82 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.407 -175.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -77.18 41.85 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.353 0.597 . . . . 0.0 111.655 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.427 ' H ' ' C ' ' A' ' 8' ' ' ILE . 11.4 p -105.83 -11.25 16.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.954 170.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.461 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 34.3 m-80 -127.1 124.0 23.68 Favored Pre-proline 0 N--CA 1.455 -0.214 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.461 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 11' ' ' ASN . 16.1 Cg_exo -65.04 -47.51 4.66 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.948 2.432 . . . . 0.0 113.175 -175.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -78.59 -33.62 47.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.958 -176.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.57 92.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.117 0.484 . . . . 0.0 110.545 177.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -38.43 80.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.548 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 42.0 ttm -61.17 -32.09 71.83 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.55 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.0 m -61.57 -37.05 82.42 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.987 177.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.958 ' HE3' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -69.3 -43.37 73.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.535 178.5 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.401 HG22 ' HE3' ' A' ' 43' ' ' MET . 1.2 m -59.34 -44.7 92.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.356 178.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -60.89 -46.8 89.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.011 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.566 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 95.6 m-20 -63.84 -31.92 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.346 -178.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD21 HD11 ' A' ' 97' ' ' LEU . 21.4 mt -65.41 -41.52 93.52 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.482 176.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.73 -52.09 63.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.475 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.566 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 4.1 pt20 -60.36 -39.01 85.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.222 0.534 . . . . 0.0 110.346 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.8 t -65.29 -41.39 94.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.629 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.506 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -66.71 -40.53 88.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.745 177.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.2 t -64.89 -36.79 85.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.546 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -66.87 -49.53 65.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.121 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 p -63.39 -49.18 74.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -177.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.79 22.0 78.67 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.165 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.6 p -84.3 -15.86 10.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.438 0.637 . . . . 0.0 109.513 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.506 HD11 ' HB1' ' A' ' 26' ' ' ALA . 5.0 mp -99.06 156.32 16.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.079 178.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.9 p -93.12 174.73 7.08 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.611 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.33 -36.23 81.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.828 0.347 . . . . 0.0 110.638 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -53.55 -54.94 30.2 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.794 174.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.658 ' HB3' HG12 ' A' ' 77' ' ' VAL . 46.2 mt-30 -67.81 -37.68 82.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.443 -178.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 85.0 mmm -66.15 -37.51 85.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.488 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.43 ' HB3' ' HE1' ' B' ' 61' ' ' HIS . 27.7 t70 -76.27 -30.53 57.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.178 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.412 ' OD2' ' HB2' ' B' ' 65' ' ' ALA . 1.5 m-20 -58.78 -50.59 73.37 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.982 172.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.473 ' O ' ' HB3' ' A' ' 43' ' ' MET . 91.2 mtp -67.27 -31.38 71.68 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.614 177.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.17 -45.52 95.86 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.743 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.448 ' HE3' ' HB1' ' B' ' 65' ' ' ALA . 49.3 ttp -66.67 -30.62 70.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 110.528 177.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.473 ' HB3' ' O ' ' A' ' 40' ' ' MET . 46.9 ttp -56.04 -53.7 53.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.989 0.424 . . . . 0.0 110.484 176.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.86 97.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.528 178.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -60.96 -39.73 90.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.169 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.6 t -62.25 -48.94 77.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.922 0.392 . . . . 0.0 110.637 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.43 HG21 ' O ' ' A' ' 43' ' ' MET . 24.0 t -59.87 -35.55 61.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.133 178.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -72.16 -49.96 31.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.205 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.596 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 39.0 m -63.22 -32.05 73.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.708 -174.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.522 ' HG3' ' HE1' ' A' ' 54' ' ' MET . 5.1 tp-100 -66.33 -36.16 82.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.114 0.483 . . . . 0.0 109.819 177.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.0 mtp -75.29 -36.36 61.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.603 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.596 ' HG2' ' HA ' ' A' ' 49' ' ' SER . 9.9 pt20 -74.39 -18.27 60.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.041 0.448 . . . . 0.0 110.938 178.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -76.0 -46.84 27.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.795 174.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.78 ' HE2' ' HD3' ' A' ' 62' ' ' ARG . 62.4 mtm -85.03 -177.22 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.191 -174.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -105.45 -154.2 21.74 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.253 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.97 137.23 37.24 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.512 2.141 . . . . 0.0 112.359 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 60.66 81.83 0.23 Allowed Pre-proline 0 N--CA 1.463 0.215 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.429 -178.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.82 158.3 51.7 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.498 2.132 . . . . 0.0 111.929 175.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.498 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 24.3 Cg_endo -61.65 139.09 79.18 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.927 2.418 . . . . 0.0 112.029 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -60.87 -32.52 71.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.323 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -68.1 -21.92 64.93 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.84 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.78 ' HD3' ' HE2' ' A' ' 54' ' ' MET . 0.5 OUTLIER -64.91 -37.64 88.32 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 176.017 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.414 HD21 HH21 ' A' ' 62' ' ' ARG . 47.4 mt -70.12 -34.78 73.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.427 177.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.425 HH22 ' HA ' ' B' ' 36' ' ' GLN . 2.9 tmm_? -61.59 -38.28 87.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.654 174.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.463 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -76.75 -51.09 12.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.522 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.581 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 89.5 mmm -67.96 -23.45 65.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.02 -173.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -56.3 -57.29 12.87 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.499 HG22 ' HB1' ' B' ' 72' ' ' ALA . 6.8 m -68.32 -35.22 77.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.793 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.9 -59.03 6.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.852 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.1 ttt -57.59 -45.52 85.18 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.043 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.415 ' HB2' HG21 ' A' ' 116' ' ' VAL . . . -62.54 -46.37 88.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.502 -178.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.59 -38.26 80.5 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.358 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.511 ' O ' HG22 ' A' ' 77' ' ' VAL . 48.8 mt-10 -61.86 -48.32 81.06 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.216 -0.194 . . . . 0.0 110.643 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.436 HG22 ' SD ' ' A' ' 43' ' ' MET . 47.0 t -57.24 -47.68 83.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.883 0.373 . . . . 0.0 110.571 176.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.19 -42.99 92.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.789 ' OE1' ' HA ' ' B' ' 65' ' ' ALA . 0.6 OUTLIER -62.66 -46.38 88.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.656 177.26 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.658 HG12 ' HB3' ' A' ' 36' ' ' GLN . 56.4 t -54.1 -39.34 41.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.582 178.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.447 HG22 HG11 ' A' ' 89' ' ' VAL . 77.1 t -73.14 -47.5 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.197 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.429 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . . . -65.3 -30.12 70.94 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -174.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 m -90.92 19.98 5.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.211 0.529 . . . . 0.0 111.485 -175.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 79.7 p -90.03 162.88 34.01 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 176.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.27 145.46 87.13 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.162 1.908 . . . . 0.0 111.282 173.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -64.36 -13.34 37.75 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.405 2.07 . . . . 0.0 112.324 -175.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -81.76 -14.81 55.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.882 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.2 m -132.13 4.91 4.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.848 -174.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 79' ' ' ALA . 18.4 t80 -59.21 -51.61 69.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.0 t -71.37 -27.28 63.23 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.38 -51.37 52.81 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.705 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.447 HG11 HG22 ' A' ' 78' ' ' VAL . 62.8 t -64.03 -40.65 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.6 tt -58.29 -54.15 50.27 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.624 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -57.33 -40.82 78.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.034 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.9 m -62.21 -52.92 61.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.453 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.3 mm -65.93 -50.01 72.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.31 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.85 -33.1 71.85 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.161 -0.543 . . . . 0.0 113.348 -175.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.58 -35.93 26.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.787 0.327 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.9 t -79.27 -20.57 47.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.213 -173.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.958 ' HG ' ' HE3' ' A' ' 18' ' ' MET . 3.5 mp -57.85 -41.91 83.34 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.065 0.459 . . . . 0.0 110.386 175.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.522 ' HG3' HG23 ' A' ' 108' ' ' VAL . 79.3 ttt180 -63.71 -37.72 88.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.285 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -73.15 -50.78 20.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.0 m -55.09 -41.02 71.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.4 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.517 ' HE1' ' HB3' ' A' ' 109' ' ' ASP . 9.9 mmt -62.57 -47.77 82.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.934 0.397 . . . . 0.0 111.009 177.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.8 ttm -68.14 -32.98 73.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.239 -176.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -81.99 -12.13 58.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.858 0.361 . . . . 0.0 110.959 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.59 -60.87 1.67 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.813 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.473 HG22 HG23 ' A' ' 8' ' ' ILE . 65.2 p -93.85 -51.32 4.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.509 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 139.11 -25.75 2.76 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -175.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 48.0 m -120.1 -174.82 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.522 HG23 ' HG3' ' A' ' 98' ' ' ARG . 4.8 p -117.51 123.4 71.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.301 178.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.539 ' OD2' ' HA ' ' A' ' 7' ' ' PRO . 14.5 t0 -75.13 97.82 3.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.86 173.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -72.56 -28.91 63.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.579 -175.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.88 87.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.451 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.444 ' O ' HG23 ' A' ' 116' ' ' VAL . 76.8 t80 -67.46 -51.7 48.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.103 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.495 ' HA ' HD23 ' A' ' 97' ' ' LEU . 13.1 m -54.37 -44.17 72.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.603 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.443 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 51.0 t-20 -67.16 -47.87 69.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.251 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.1 -44.59 83.35 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.438 -176.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 112' ' ' PHE . 94.6 t -60.36 -36.22 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.37 . . . . 0.0 111.013 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.608 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 25.2 mmt -73.28 -23.53 60.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.643 -177.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 25.8 mm-40 -87.76 -34.58 18.28 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 18.7 mt -59.15 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.016 176.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.16 -34.67 72.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.189 -177.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 117' ' ' MET . 95.9 mttt -71.42 -37.51 71.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.144 177.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.499 ' HE3' HD22 ' B' ' 119' ' ' LEU . 50.3 ttp -70.21 -37.77 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.012 -179.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 84.3 mt -72.89 0.91 9.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.274 0.559 . . . . 0.0 110.694 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.6 m -135.52 16.81 3.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.861 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -87.99 75.32 8.79 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.575 0.703 . . . . 0.0 111.599 -174.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -154.53 108.39 2.94 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.939 173.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 69.8 m -62.04 99.87 0.14 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.253 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.79 32.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.649 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -69.79 99.68 1.4 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.536 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -82.57 105.74 13.86 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.05 0.452 . . . . 0.0 110.678 -177.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 29.5 m -91.8 -16.55 7.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.603 175.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 43.0 m -150.91 116.14 5.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.874 177.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 90.6 m . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.812 179.408 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.228 -0.349 . . . . 0.0 112.228 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.9 p -125.78 -175.95 3.48 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.607 0.242 . . . . 0.0 110.539 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.8 -156.17 15.77 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.439 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -155.87 145.15 20.78 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.4 p -65.31 138.36 58.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.079 0.466 . . . . 0.0 111.37 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -128.32 124.62 22.99 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.188 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.29 123.4 13.72 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.32 2.013 . . . . 0.0 110.46 173.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.592 HG12 ' HE3' ' B' ' 101' ' ' MET . 12.6 pt -68.47 -6.84 6.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -171.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -73.17 81.86 1.3 Allowed 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 122.152 0.977 . . . . 0.0 110.715 176.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 85.6 m -152.4 -38.52 0.11 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 113.988 -1.46 . . . . 0.0 107.719 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -99.06 117.75 63.75 Favored Pre-proline 0 N--CA 1.452 -0.335 0 CA-C-N 114.854 -1.067 . . . . 0.0 108.697 170.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -59.96 -51.57 5.57 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.805 2.337 . . . . 0.0 112.46 -172.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -67.11 -36.18 81.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.316 -176.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.76 -33.6 68.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.016 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.81 -34.61 60.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.538 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 43.5 ttm -60.79 -28.18 68.56 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.803 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m -58.77 -40.67 84.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.787 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.801 ' SD ' ' HE2' ' B' ' 101' ' ' MET . 10.3 ttt -64.14 -43.84 93.97 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 178.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -60.96 -44.1 97.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.379 0.609 . . . . 0.0 110.471 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -65.02 -46.05 82.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.366 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -67.86 -29.21 68.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.267 -176.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.658 HD23 HD12 ' B' ' 97' ' ' LEU . 40.9 mt -63.4 -47.02 83.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.814 176.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 67.4 t -61.42 -39.91 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.337 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.585 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 24.9 mt-30 -58.01 -48.9 78.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.328 175.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . 0.464 ' HA ' ' NE ' ' B' ' 28' ' ' ARG . 6.4 t -59.36 -49.63 77.09 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.543 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.03 -38.15 85.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.429 -177.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 43.5 t -67.05 -20.76 65.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.36 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' B' ' 24' ' ' GLN . 49.4 mtm180 -82.16 -53.55 5.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.282 0.563 . . . . 0.0 109.949 176.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.537 ' HB2' HG22 ' B' ' 31' ' ' VAL . 51.3 p -57.21 -48.12 79.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.121 -171.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.73 20.51 79.79 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.045 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.537 HG22 ' HB2' ' B' ' 29' ' ' SER . 23.5 t -80.67 -27.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.438 0.637 . . . . 0.0 109.51 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 mp -93.06 152.72 19.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.702 -175.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 40.5 p -83.16 174.37 10.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.65 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.3 94.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.91 0.386 . . . . 0.0 110.485 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -57.17 -44.21 83.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.444 177.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.425 ' HA ' HH22 ' A' ' 64' ' ' ARG . 53.3 mt-30 -70.7 -43.59 68.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.057 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 81.3 mmm -63.33 -46.18 87.84 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.377 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -66.44 -28.78 68.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.104 0.478 . . . . 0.0 110.237 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.401 ' OD1' ' HB1' ' A' ' 65' ' ' ALA . 5.5 t70 -68.79 -44.02 74.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.185 176.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.4 ' O ' ' HB3' ' B' ' 43' ' ' MET . 91.6 mtp -66.45 -38.71 87.96 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.948 177.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.1 -41.98 99.63 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.535 175.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.474 ' SD ' ' HG3' ' A' ' 62' ' ' ARG . 52.5 ttp -63.75 -36.46 83.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.941 0.401 . . . . 0.0 110.227 176.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' MET . . . . . 0.4 ' HB3' ' O ' ' B' ' 40' ' ' MET . 41.1 ttp -58.56 -49.09 78.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.001 176.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.15 93.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.034 0.445 . . . . 0.0 110.642 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.13 -37.89 89.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.444 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -59.23 -46.7 87.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.419 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 39.5 t -62.85 -42.93 98.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.119 0.485 . . . . 0.0 110.094 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -58.92 -43.26 91.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.426 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.466 ' HA ' ' HG2' ' B' ' 52' ' ' GLN . 35.5 m -62.46 -28.72 70.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.443 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.574 ' HG3' ' HE2' ' B' ' 54' ' ' MET . 7.3 tp-100 -76.12 -23.67 54.9 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.29 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.432 ' HE2' ' HB3' ' B' ' 51' ' ' MET . 40.2 mtp -82.62 -16.48 48.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.533 178.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.466 ' HG2' ' HA ' ' B' ' 49' ' ' SER . 11.0 pt20 -93.68 -12.09 30.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.581 . . . . 0.0 109.765 173.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 45.8 mmtt -78.9 -51.73 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.805 170.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' MET . . . . . 0.574 ' HE2' ' HG3' ' B' ' 50' ' ' GLN . 43.9 mtm -91.85 110.37 21.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.448 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.12 -95.8 1.16 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.977 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.21 110.38 2.86 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.865 2.377 . . . . 0.0 112.925 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 59.03 88.79 0.12 Allowed Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.739 175.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . 0.478 ' HB3' ' HB3' ' B' ' 54' ' ' MET . 67.2 Cg_endo -76.83 155.37 34.57 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.311 2.008 . . . . 0.0 113.464 -178.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.434 ' HG2' ' CB ' ' B' ' 62' ' ' ARG . 41.2 Cg_endo -69.62 129.86 18.48 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 123.476 2.784 . . . . 0.0 112.103 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.42 -41.51 98.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.639 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.546 ' O ' ' HB3' ' B' ' 64' ' ' ARG . 22.3 p80 -63.78 -23.12 67.24 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.963 0.411 . . . . 0.0 110.94 -178.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.434 ' CB ' ' HG2' ' B' ' 59' ' ' PRO . 9.2 ttt180 -74.98 -33.31 61.86 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -177.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.27 -30.8 67.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.625 172.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.546 ' HB3' ' O ' ' B' ' 61' ' ' HIS . 1.5 tmm_? -59.01 -45.67 90.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.423 175.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.789 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -68.28 -34.62 76.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.286 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 96.2 mmm -68.52 -30.16 68.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.755 177.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . 0.473 ' HB3' ' O ' ' B' ' 64' ' ' ARG . 13.6 t-20 -56.63 -54.06 50.47 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.45 174.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.415 HG23 ' HB2' ' A' ' 76' ' ' GLU . 4.6 m -63.83 -37.19 86.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.734 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.68 -54.72 38.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.989 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.8 ttt -57.96 -48.26 80.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.277 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . 0.43 ' HB3' ' CE2' ' B' ' 112' ' ' PHE . . . -62.23 -42.65 99.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.223 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.499 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -67.37 -40.77 85.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.547 ' O ' HG21 ' B' ' 77' ' ' VAL . 42.0 mt-10 -61.92 -51.16 69.28 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.791 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 38.7 t -54.96 -48.47 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 111.015 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.88 98.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.037 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.463 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -69.91 -30.26 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.181 179.506 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.547 HG21 ' O ' ' B' ' 73' ' ' GLU . 64.5 t -63.77 -43.22 97.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.074 0.464 . . . . 0.0 110.131 173.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.54 -46.88 68.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.922 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.01 81.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.706 -177.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 11.1 m -83.83 77.53 9.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.277 0.56 . . . . 0.0 110.357 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.0 p -157.84 167.88 13.59 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.117 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.94 142.33 92.6 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.0 1.8 . . . . 0.0 110.776 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -62.75 -20.33 70.8 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.401 2.068 . . . . 0.0 111.995 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -80.42 -15.42 56.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.806 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 21.0 m -112.52 -19.4 12.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.682 -177.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -49.04 -51.31 31.88 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.341 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 32.9 t -61.1 -43.26 99.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.734 0.302 . . . . 0.0 111.002 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.65 84.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.057 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.44 -44.59 98.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.051 0.453 . . . . 0.0 110.079 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.34 -50.74 72.55 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.494 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -59.69 -34.69 73.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.146 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 91.7 m -67.09 -51.39 54.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.486 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . 0.447 HG22 HD11 ' B' ' 97' ' ' LEU . 1.6 mm -66.02 -46.36 88.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.228 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.6 -40.17 92.1 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.647 -178.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' B' ' 99' ' ' GLU . . . -70.62 -48.88 52.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.805 0.336 . . . . 0.0 110.784 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 61.4 m -71.0 -18.49 62.59 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.658 HD12 HD23 ' B' ' 22' ' ' LEU . 1.1 tp -57.2 -51.53 68.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.547 0.689 . . . . 0.0 109.59 172.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.489 ' HG3' HG23 ' B' ' 108' ' ' VAL . 48.2 ttt180 -59.32 -48.68 80.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.535 177.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' B' ' 95' ' ' ALA . 11.5 mm-40 -59.96 -45.93 91.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.204 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 75.0 m -55.63 -43.96 76.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.106 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.801 ' HE2' ' SD ' ' B' ' 18' ' ' MET . 14.7 mmt -63.24 -40.66 98.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.515 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.463 ' O ' ' HA2' ' B' ' 106' ' ' GLY . 8.9 ttm -70.75 -22.79 62.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.892 0.377 . . . . 0.0 111.273 -177.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -90.11 -34.58 15.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.81 0.338 . . . . 0.0 110.84 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.75 -59.67 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.384 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.476 HG23 ' CG2' ' B' ' 8' ' ' ILE . 74.1 p -103.86 -31.1 9.95 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.039 -177.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' B' ' 102' ' ' MET . . . 103.45 -2.04 46.35 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -175.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 6.3 m -136.24 132.22 35.54 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -178.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.547 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 3.1 p -86.8 110.37 20.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.36 0.6 . . . . 0.0 111.218 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -77.14 125.05 28.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.877 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -89.2 -16.75 30.58 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.306 -177.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.2 -55.09 15.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.653 -0.248 . . . . 0.0 110.649 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' B' ' 71' ' ' ALA . 59.4 t80 -63.47 -46.18 87.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.917 0.389 . . . . 0.0 110.202 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.513 HG22 HD21 ' B' ' 97' ' ' LEU . 90.1 m -58.07 -44.08 87.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.089 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . 0.406 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 11.0 t30 -69.59 -37.97 77.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.94 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -60.02 -42.82 95.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.345 -178.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.458 ' HA ' HD13 ' B' ' 119' ' ' LEU . 77.6 t -60.29 -38.55 77.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.639 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.54 ' HA ' ' HE3' ' B' ' 117' ' ' MET . 31.3 mmt -66.41 -38.4 87.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.445 -178.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 45.0 mt-30 -65.66 -45.31 83.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.048 0.451 . . . . 0.0 110.241 177.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.499 HD22 ' HE3' ' A' ' 122' ' ' MET . 18.5 mt -58.25 -48.9 78.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.36 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 11.9 p -70.63 -29.62 38.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.621 -174.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -76.74 -39.76 50.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.716 0.293 . . . . 0.0 110.694 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.406 ' HE3' ' HB3' ' B' ' 122' ' ' MET . 12.6 tmm? -63.91 -43.46 95.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 80.7 mt -69.45 -10.65 58.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.457 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 26.6 t -107.47 6.25 27.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.078 0.466 . . . . 0.0 110.324 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -96.42 24.89 5.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.169 0.509 . . . . 0.0 111.417 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -73.69 122.38 22.25 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.004 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 22.0 m -74.01 111.68 9.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.453 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.9 38.93 1.0 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.245 0.545 . . . . 0.0 109.534 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -61.07 87.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.87 -177.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -103.97 34.01 3.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.541 0.686 . . . . 0.0 109.7 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 27.7 m -80.58 -20.04 11.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.423 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 14.7 m -102.27 92.9 4.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.74 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.935 -179.299 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -105.75 103.91 13.52 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.697 0.284 . . . . 0.0 110.818 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.11 -147.96 40.32 Favored Glycine 0 CA--C 1.518 0.261 0 CA-C-N 116.101 -0.499 . . . . 0.0 113.321 177.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -64.53 129.62 40.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.3 0.572 . . . . 0.0 111.528 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 m -94.13 141.07 28.96 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.541 176.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -107.23 112.11 63.02 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.987 -174.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -61.41 119.32 6.41 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.533 2.156 . . . . 0.0 111.106 175.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.448 HG22 HG22 ' A' ' 105' ' ' THR . 14.6 pt -76.93 7.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.014 -174.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -79.59 67.55 5.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.403 0.62 . . . . 0.0 112.21 -173.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.9 t -126.6 -13.83 5.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.377 170.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -126.21 125.04 24.63 Favored Pre-proline 0 CA--C 1.518 -0.251 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.833 177.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -67.74 -38.94 12.6 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.896 2.398 . . . . 0.0 113.045 -173.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -76.78 -35.34 57.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.788 0.327 . . . . 0.0 110.784 -177.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.05 94.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.05 0.452 . . . . 0.0 110.482 177.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.05 -38.71 75.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.923 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.481 ' HE2' HG11 ' A' ' 47' ' ' VAL . 52.0 ttm -60.98 -29.17 69.51 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.796 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.9 m -66.99 -35.69 80.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.946 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -65.09 -40.89 95.24 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 176.858 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.45 -41.33 96.61 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.65 177.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -62.55 -48.32 80.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -62.65 -32.0 72.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.558 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 18' ' ' MET . 49.4 mt -60.81 -47.13 87.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 111.256 177.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.5 -34.03 67.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.153 0.502 . . . . 0.0 110.31 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -70.31 -41.3 73.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.299 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.585 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 13.8 p -72.66 -34.84 67.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.958 0.409 . . . . 0.0 110.081 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.58 -37.25 86.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.079 0.466 . . . . 0.0 110.659 174.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.7 t -74.74 -23.14 58.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.328 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' A' ' 25' ' ' CYS . 9.8 ptt180 -87.22 -22.95 24.93 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.495 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.8 p -85.56 -59.3 2.35 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.902 0.382 . . . . 0.0 110.456 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.38 17.18 69.5 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.074 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.406 HG12 ' OG1' ' A' ' 92' ' ' THR . 12.4 p -79.59 -22.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.284 0.564 . . . . 0.0 110.138 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.454 ' HG ' HG11 ' A' ' 89' ' ' VAL . 5.1 mp -89.57 156.89 18.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.033 178.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.7 p -80.27 167.14 20.65 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.78 -31.67 72.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.975 0.417 . . . . 0.0 110.004 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.89 -43.51 86.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.713 175.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -74.69 -34.38 62.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.037 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 86.2 mmm -64.77 -42.68 94.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.063 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.4 -31.49 68.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.985 0.422 . . . . 0.0 109.942 177.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.45 ' HB3' HG21 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -58.16 -50.81 72.21 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.019 175.031 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.583 ' HG3' HG12 ' A' ' 77' ' ' VAL . 90.5 mtp -68.65 -35.09 76.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.126 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.21 -43.31 99.55 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.713 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.472 ' HE2' ' HB3' ' A' ' 42' ' ' MET . 10.0 tmm? -65.95 -33.32 75.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.668 0.27 . . . . 0.0 110.749 177.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.439 ' O ' HG21 ' A' ' 47' ' ' VAL . 40.6 ttp -57.47 -49.32 76.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.918 0.389 . . . . 0.0 110.572 176.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.4 -36.52 84.2 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.266 0.555 . . . . 0.0 110.427 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.92 -40.65 98.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.683 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -60.97 -47.35 86.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.374 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.481 HG11 ' HE2' ' A' ' 16' ' ' MET . 21.6 t -55.42 -42.77 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-O 120.88 0.372 . . . . 0.0 110.43 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -67.94 -48.13 66.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.289 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.557 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 36.0 p -69.82 -23.71 63.35 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -175.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -76.62 -39.48 52.33 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 174.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.6 mmm -61.53 -43.44 98.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.126 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.557 ' HG2' ' HA ' ' A' ' 49' ' ' SER . 20.5 pt20 -71.84 -15.47 62.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.852 0.358 . . . . 0.0 111.379 -178.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -89.11 -8.92 52.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.882 0.372 . . . . 0.0 110.74 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.846 ' SD ' ' HD2' ' A' ' 62' ' ' ARG . 78.1 mtm -106.97 -48.76 3.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.893 0.378 . . . . 0.0 110.918 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.98 -165.61 20.95 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.661 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -67.07 139.14 49.88 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.405 2.07 . . . . 0.0 112.028 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 58.15 76.02 0.5 Allowed Pre-proline 0 N--CA 1.466 0.341 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.96 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -81.99 167.66 16.03 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.517 2.144 . . . . 0.0 112.641 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.48 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 23.8 Cg_exo -61.46 122.53 11.22 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 123.11 2.54 . . . . 0.0 111.791 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -62.53 -33.78 75.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.088 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -34.21 73.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.304 0.573 . . . . 0.0 110.376 178.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.846 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 41.7 ttm-85 -73.85 -32.55 63.71 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.621 -178.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.69 -32.14 72.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.929 176.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.1 mtm105 -58.14 -48.57 79.83 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 173.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.531 ' HA ' ' HG3' ' B' ' 76' ' ' GLU . . . -62.4 -37.05 84.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.217 178.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 96.1 mmm -59.24 -33.94 71.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -53.52 -55.57 24.34 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 173.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.505 HG21 ' HB2' ' B' ' 72' ' ' ALA . 19.7 m -65.83 -42.08 90.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.121 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.507 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -58.02 -56.39 22.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.482 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.4 ttt -60.03 -45.14 93.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.289 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.434 ' HB1' HG23 ' A' ' 116' ' ' VAL . . . -62.37 -43.19 99.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.491 ' HB3' HG21 ' B' ' 68' ' ' THR . . . -63.76 -41.4 97.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.955 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.584 ' O ' HG23 ' A' ' 77' ' ' VAL . 12.3 mm-40 -58.22 -52.15 66.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.027 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.428 ' O ' HG21 ' A' ' 78' ' ' VAL . 53.9 t -55.94 -47.32 80.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.64 96.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -61.63 -42.99 99.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.045 178.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 73' ' ' GLU . 91.9 t -61.44 -44.24 98.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.12 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 74' ' ' VAL . 78.2 t -68.68 -40.37 81.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.146 -178.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.89 -21.42 66.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.745 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.3 m -89.94 77.33 6.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.352 0.596 . . . . 0.0 110.434 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 p -158.57 161.45 28.42 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.593 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 85' ' ' SER . 26.1 Cg_exo -63.91 155.84 61.74 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.201 1.934 . . . . 0.0 110.904 175.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -57.67 -36.1 98.6 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.352 2.035 . . . . 0.0 112.122 -174.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -76.6 -21.24 55.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.684 -178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.529 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 18.0 t -101.63 -21.62 14.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.826 0.346 . . . . 0.0 110.76 -175.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -51.43 -52.14 48.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.05 -177.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.0 t -71.52 -24.89 62.04 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.087 -177.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.2 -47.01 53.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.116 0.484 . . . . 0.0 110.068 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.454 HG11 ' HG ' ' A' ' 32' ' ' LEU . 73.0 t -62.73 -44.92 99.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.097 175.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.4 -50.15 75.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.84 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -57.49 -34.7 69.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.945 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.406 ' OG1' HG12 ' A' ' 31' ' ' VAL . 39.9 m -71.06 -53.42 14.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.435 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 93' ' ' ILE . 1.6 mm -59.83 -43.5 92.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.063 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.12 -35.02 63.21 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.57 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.21 -36.24 47.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.923 0.392 . . . . 0.0 110.643 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.518 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 86.3 m -63.1 -40.32 97.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.293 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.946 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 9.5 mp -59.71 -33.4 71.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.13 0.49 . . . . 0.0 110.798 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.476 ' HG3' HG23 ' A' ' 108' ' ' VAL . 64.0 ttt180 -66.92 -49.53 65.24 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.687 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.518 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 11.0 pt-20 -74.52 -37.21 63.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.838 -175.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 66.4 m -59.83 -41.21 90.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.71 0.29 . . . . 0.0 110.767 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 14.8 mmt -66.4 -41.53 89.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.728 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.43 ' HE3' ' HB2' ' A' ' 102' ' ' MET . 22.7 ttm -68.05 -28.79 67.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.245 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -83.0 -34.97 26.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.941 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.27 -50.4 16.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.658 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.448 HG22 HG22 ' A' ' 8' ' ' ILE . 75.2 p -108.78 -47.12 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.21 0.529 . . . . 0.0 111.079 -177.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 130.68 -8.97 5.82 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.569 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.1 m -138.25 148.14 44.42 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.476 HG23 ' HG3' ' A' ' 98' ' ' ARG . 2.4 p -88.68 111.16 22.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.345 0.593 . . . . 0.0 111.158 179.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -74.51 125.98 29.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.114 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -86.22 -20.41 28.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.421 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.01 -53.32 55.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.653 0.263 . . . . 0.0 110.852 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -68.42 -45.54 72.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.042 0.449 . . . . 0.0 110.329 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.503 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 19.5 m -58.92 -41.65 87.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.707 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.408 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 10.2 t30 -71.94 -39.57 69.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.662 0.267 . . . . 0.0 110.499 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -55.54 -44.86 77.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.749 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.479 ' HA ' HD11 ' A' ' 119' ' ' LEU . 66.1 t -65.63 -35.61 75.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.958 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.547 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 30.5 mmt -65.85 -36.86 84.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.908 0.385 . . . . 0.0 110.247 -178.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 114' ' ' ASN . 43.7 mt-30 -69.5 -46.78 65.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.968 176.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.479 HD11 ' HA ' ' A' ' 116' ' ' VAL . 13.7 mt -54.81 -51.36 66.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.882 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.3 p -68.29 -31.08 50.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.608 -173.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -76.67 -37.59 55.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.001 0.429 . . . . 0.0 110.349 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.455 ' HE2' ' HB3' ' A' ' 122' ' ' MET . 41.9 ttp -63.91 -45.36 89.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.688 178.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.39 -18.29 61.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.25 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.3 t -94.54 4.59 53.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.06 0.457 . . . . 0.0 110.406 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -96.96 75.03 2.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.3 0.571 . . . . 0.0 111.057 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -64.76 107.87 1.57 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.486 175.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.4 p -130.19 130.64 44.95 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.751 -176.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -160.85 76.04 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.023 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -74.29 161.31 30.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.36 173.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -69.04 112.04 5.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.609 0.718 . . . . 0.0 111.485 -175.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 29.2 m -97.58 5.47 9.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.579 172.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.4 p -76.35 159.82 30.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.02 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.713 -178.602 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 N-CA-C 112.072 -0.411 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.8 m -147.7 142.22 26.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.722 0.296 . . . . 0.0 110.658 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.31 -120.14 6.7 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.131 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -78.53 159.49 28.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.792 0.329 . . . . 0.0 110.921 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -98.31 137.32 37.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.982 0.42 . . . . 0.0 110.763 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.401 ' HA ' ' HD2' ' B' ' 7' ' ' PRO . 11.5 pt20 -143.59 99.48 5.25 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-O 121.261 0.553 . . . . 0.0 110.369 178.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . 0.409 ' C ' ' H ' ' B' ' 9' ' ' TRP . 13.5 Cg_endo -57.64 128.43 29.21 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 123.016 2.477 . . . . 0.0 111.908 -178.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.511 HG12 ' HE3' ' B' ' 101' ' ' MET . 19.4 pt -72.3 6.8 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.801 -176.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . 0.409 ' H ' ' C ' ' B' ' 7' ' ' PRO . 79.3 m95 -77.59 7.64 5.34 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -173.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.7 t -81.49 -12.72 58.76 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 171.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -121.94 104.94 38.16 Favored Pre-proline 0 C--O 1.234 0.272 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.717 173.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -62.31 -35.43 73.48 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.831 2.354 . . . . 0.0 112.257 -175.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -69.81 -41.51 74.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.496 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.3 -44.79 82.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.503 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.16 99.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.127 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -62.67 -30.99 71.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.786 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.6 m -67.48 -34.57 77.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.112 0.482 . . . . 0.0 109.877 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.977 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.61 -44.4 94.06 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.182 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.496 ' HA ' ' HE1' ' B' ' 70' ' ' MET . 1.5 m -59.56 -44.26 93.32 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.187 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -63.69 -47.74 79.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.267 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -65.74 -27.79 68.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.645 -176.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 19.4 mt -61.25 -47.18 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.626 175.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.56 -41.32 91.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.4 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -63.61 -44.34 94.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 177.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . 0.517 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 42.7 t -64.42 -36.23 83.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.115 0.483 . . . . 0.0 110.561 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.476 ' HB2' HD13 ' B' ' 32' ' ' LEU . . . -71.22 -37.61 72.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.003 0.43 . . . . 0.0 111.062 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 45.1 t -72.03 -31.29 66.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.517 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 26.3 ptt180 -80.73 -19.62 44.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.611 0.243 . . . . 0.0 110.997 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.3 p -89.93 -49.27 6.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.015 0.436 . . . . 0.0 110.414 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.08 24.27 74.11 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.045 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.7 p -90.57 -9.85 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.165 0.507 . . . . 0.0 110.385 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.538 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.5 mp -102.13 151.23 22.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.397 178.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 62.1 p -86.31 -179.5 6.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.908 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.14 94.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.766 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -57.98 -49.96 75.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.448 0.642 . . . . 0.0 109.558 178.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 43.0 mt-30 -67.26 -46.75 72.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.325 -177.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 90.1 mmm -63.57 -45.0 92.45 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 111.55 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -65.84 -35.27 80.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -72.0 -38.77 69.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.998 0.428 . . . . 0.0 110.542 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.501 ' O ' ' HB3' ' B' ' 43' ' ' MET . 85.9 mtp -65.47 -33.04 74.99 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.147 174.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.04 -41.79 96.65 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.553 172.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.586 ' SD ' ' HD3' ' A' ' 62' ' ' ARG . 52.7 ttp -65.07 -34.27 78.02 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 120.595 0.236 . . . . 0.0 110.735 176.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' MET . . . . . 0.503 ' SD ' ' HG3' ' B' ' 70' ' ' MET . 47.6 ttp -54.47 -51.04 66.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.975 0.417 . . . . 0.0 110.338 176.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.51 99.48 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.96 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.75 -41.65 97.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.183 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 30.0 t -56.77 -51.53 68.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.622 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.464 HG21 ' O ' ' B' ' 43' ' ' MET . 10.6 t -60.3 -41.56 87.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.618 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -67.85 -50.73 54.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.694 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.497 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 63.4 p -68.93 -24.99 64.35 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -171.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -86.75 -32.62 20.31 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.549 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 58.7 mmm -69.05 -39.16 79.32 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.152 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -66.54 -26.25 67.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.093 0.473 . . . . 0.0 110.542 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' B' ' 49' ' ' SER . 32.9 mtmm -85.24 -12.99 51.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.587 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.6 mtm -105.07 -40.7 5.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.334 . . . . 0.0 111.199 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.85 -157.78 28.84 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.723 176.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.36 141.67 47.52 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.788 2.325 . . . . 0.0 112.475 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 49.93 75.78 0.62 Allowed Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.428 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -83.11 172.34 10.83 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 122.484 2.123 . . . . 0.0 111.879 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.598 ' HG2' ' CZ ' ' B' ' 62' ' ' ARG . 23.1 Cg_exo -63.14 119.1 6.04 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.607 2.205 . . . . 0.0 111.161 175.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.92 -28.34 64.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.197 -176.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.67 ' HA ' ' HG3' ' B' ' 64' ' ' ARG . 11.4 p80 -71.47 -32.23 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.405 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.652 ' O ' ' HG2' ' B' ' 66' ' ' MET . 41.5 mtm-85 -73.81 -21.06 60.27 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.163 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.16 -32.53 63.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.761 171.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.67 ' HG3' ' HA ' ' B' ' 61' ' ' HIS . 29.4 mtm105 -53.17 -53.72 46.48 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.271 0.558 . . . . 0.0 109.577 173.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.448 ' CB ' ' HE1' ' A' ' 42' ' ' MET . . . -60.25 -44.93 94.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.725 -178.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.652 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 92.6 mmm -58.38 -32.42 68.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.377 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -54.13 -55.17 30.31 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.143 0.497 . . . . 0.0 110.393 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.491 HG21 ' HB3' ' A' ' 72' ' ' ALA . 26.6 m -74.09 -32.91 63.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.181 -177.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.28 -53.8 54.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.98 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' MET . . . . . 0.503 ' HG3' ' SD ' ' B' ' 43' ' ' MET . 20.2 ttt -60.34 -45.37 93.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.834 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.6 99.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.288 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.505 ' HB2' HG21 ' A' ' 68' ' ' THR . . . -64.75 -38.77 92.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.23 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.454 ' OE1' ' HE1' ' B' ' 42' ' ' MET . 9.3 mm-40 -63.47 -39.03 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.407 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.443 ' O ' HG21 ' B' ' 78' ' ' VAL . 71.5 t -66.38 -41.66 89.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.056 0.455 . . . . 0.0 110.516 176.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.31 -38.28 90.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.502 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.531 ' HG3' ' HA ' ' A' ' 65' ' ' ALA . 3.5 tm-20 -55.13 -53.7 52.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.211 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.498 HG11 ' HG3' ' B' ' 40' ' ' MET . 33.7 m -68.75 -34.8 66.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.174 -174.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.443 HG21 ' O ' ' B' ' 74' ' ' VAL . 96.4 t -70.56 -37.79 71.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.987 0.422 . . . . 0.0 110.425 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.414 ' HA ' ' CE2' ' B' ' 86' ' ' TYR . . . -72.98 -35.96 67.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.807 -177.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 27.5 m -85.85 78.81 9.44 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.604 0.716 . . . . 0.0 110.244 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 52.1 p -149.76 162.96 26.63 Favored Pre-proline 0 C--N 1.317 -0.847 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.868 176.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -64.23 139.78 67.8 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.731 1.621 . . . . 0.0 110.403 175.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -45.4 -38.09 15.21 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.371 2.714 . . . . 0.0 112.947 -176.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -66.4 -50.1 64.61 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.54 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 47.8 m -83.4 -9.86 58.77 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.112 -172.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . 0.672 ' HH ' ' HB2' ' B' ' 124' ' ' SER . 18.8 t80 -51.7 -53.65 36.91 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 111.261 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -60.07 -40.27 88.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.928 -177.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.4 92.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.78 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 65.8 t -64.79 -46.46 91.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.493 178.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 tt -58.5 -50.44 73.76 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.686 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -60.55 -38.86 85.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.06 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 93.9 m -64.41 -56.25 15.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.722 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -59.32 -42.01 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.192 -179.001 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.92 -41.48 76.76 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.999 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.43 65.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.751 0.31 . . . . 0.0 110.64 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 88.6 m -58.68 -34.79 71.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.785 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.977 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 7.6 mp -66.11 -43.82 86.12 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.647 0.26 . . . . 0.0 111.11 178.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.505 ' HG3' HG23 ' B' ' 108' ' ' VAL . 20.8 ttt180 -60.6 -40.68 92.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.115 0.483 . . . . 0.0 110.08 176.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.96 -55.56 24.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.314 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 42.3 m -56.99 -42.26 79.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.016 -174.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.532 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 15.7 mmt -63.05 -38.03 89.55 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.011 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 3.2 ttm -68.54 -35.1 76.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.944 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -81.75 -35.13 30.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.985 0.421 . . . . 0.0 110.791 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.0 -54.75 8.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.695 -176.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 81.8 p -107.51 -49.66 3.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.136 0.493 . . . . 0.0 110.682 -177.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 131.53 -20.74 4.61 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -175.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m -120.77 139.5 53.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.532 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 2.9 p -90.5 108.06 19.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.399 0.619 . . . . 0.0 111.204 -177.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -71.75 130.31 40.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.38 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -92.19 -17.4 24.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.362 -177.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.72 -53.0 54.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.652 0.263 . . . . 0.0 110.774 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -68.18 -45.94 72.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.427 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.531 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 22.8 m -56.73 -41.01 76.74 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.728 178.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . 0.415 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 55.7 t30 -71.85 -41.15 68.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 0.0 110.494 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -53.33 -44.98 68.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.141 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.44 HG23 HD22 ' B' ' 97' ' ' LEU . 94.0 t -66.1 -36.74 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.551 ' HA ' ' HE3' ' B' ' 117' ' ' MET . 29.0 mmt -65.06 -39.96 94.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.07 -179.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 44.1 mt-30 -68.45 -43.38 77.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.224 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.442 HD21 ' HE3' ' A' ' 122' ' ' MET . 17.4 mt -56.62 -51.23 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.616 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . 0.425 HG22 ' OH ' ' B' ' 86' ' ' TYR . 11.4 p -67.85 -35.95 74.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.47 -174.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -67.44 -40.73 85.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.089 0.471 . . . . 0.0 110.402 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.452 ' HE1' ' CD2' ' A' ' 119' ' ' LEU . 38.7 ttp -65.86 -43.78 87.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.986 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 90.6 mt -74.9 -11.41 60.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 110.83 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' SER . . . . . 0.672 ' HB2' ' HH ' ' B' ' 86' ' ' TYR . 29.6 t -89.9 0.45 57.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.358 177.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -137.22 91.19 2.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.017 0.437 . . . . 0.0 111.404 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -84.27 138.65 32.82 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 5.8 p -68.28 96.91 0.69 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.355 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.45 5.95 47.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.34 0.591 . . . . 0.0 109.976 176.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -66.66 110.27 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.033 174.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -73.06 111.81 8.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.222 0.534 . . . . 0.0 111.348 -172.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 35.7 m -85.91 -11.98 11.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.047 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 12.3 p -96.95 105.87 18.1 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.858 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--O 1.246 0.913 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.556 -178.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 111.951 -0.459 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 m -84.96 71.52 10.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.184 0.516 . . . . 0.0 110.341 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.09 -172.85 13.25 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.88 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -99.44 -49.09 4.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.936 0.398 . . . . 0.0 110.338 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 p -129.44 120.45 25.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.78 -175.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 15.0 pt20 -154.27 128.78 4.75 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.045 174.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 12.0 Cg_exo -71.01 178.61 5.15 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.882 2.388 . . . . 0.0 112.269 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.49 HG22 HG21 ' A' ' 105' ' ' THR . 5.7 pt -77.36 -10.22 12.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -73.54 85.88 1.57 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.818 0.818 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -164.37 -28.29 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.008 -1.451 . . . . 0.0 107.987 177.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -109.9 112.82 57.8 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.007 171.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -65.03 -40.63 19.64 Favored 'Trans proline' 0 C--N 1.331 -0.349 0 C-N-CA 122.862 2.375 . . . . 0.0 113.001 -170.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -65.66 -34.98 79.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.739 0.304 . . . . 0.0 110.705 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.43 -44.41 75.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.554 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.35 91.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.665 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 43.2 ttm -63.1 -28.76 70.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.9 m -64.01 -37.78 88.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.852 176.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.83 -39.49 90.88 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.435 ' HA ' ' HE1' ' A' ' 70' ' ' MET . 0.6 OUTLIER -61.46 -41.65 97.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.801 177.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -71.45 -42.01 68.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.162 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -61.49 -33.08 73.18 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.209 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.627 HD22 HD11 ' A' ' 97' ' ' LEU . 46.8 mt -60.81 -40.8 94.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.732 176.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.34 -35.93 72.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.302 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -59.5 -52.0 67.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.467 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.55 -38.89 65.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.059 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.28 -42.28 90.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.425 . . . . 0.0 111.364 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.5 t -68.44 -21.59 64.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.527 -176.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 28' ' ' ARG . 10.2 ptp180 -106.01 -4.79 20.11 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.922 -178.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.7 p -85.23 -45.86 11.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.125 0.488 . . . . 0.0 109.78 176.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.4 90.12 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.58 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.5 p -76.24 -19.16 15.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.023 0.439 . . . . 0.0 110.39 -179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mp -98.16 160.14 14.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.011 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.9 p -92.8 176.78 6.31 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.551 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.19 -40.87 96.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.12 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.476 ' CG ' HH21 ' B' ' 64' ' ' ARG . 11.2 t70 -61.76 -41.78 98.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.209 0.528 . . . . 0.0 110.089 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.61 ' HB3' HG13 ' A' ' 77' ' ' VAL . 54.0 mt-30 -66.62 -48.4 69.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.635 177.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 76.7 mmm -62.35 -42.54 99.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.591 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -66.19 -35.87 81.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -72.06 -33.94 68.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.232 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mtp -65.84 -36.49 83.61 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.064 0.459 . . . . 0.0 109.88 173.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.03 -37.16 94.49 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 173.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 18.6 tmm? -62.07 -42.65 99.42 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.423 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 37.9 ttp -55.55 -45.43 77.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.261 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.98 89.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.325 177.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -68.03 -42.18 81.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.735 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.2 p -62.51 -45.88 90.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.598 0.237 . . . . 0.0 110.867 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.3 t -65.05 -42.16 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.245 0.545 . . . . 0.0 110.037 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -60.54 -52.93 63.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.476 -178.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.636 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 35.2 m -60.05 -45.55 92.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.422 -175.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -62.53 -31.97 72.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.233 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.9 mmm -73.49 -26.18 60.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.86 0.362 . . . . 0.0 111.065 176.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -82.93 -25.64 32.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.41 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.636 ' HG2' ' O ' ' A' ' 49' ' ' SER . 1.6 mmmp? -75.05 -19.82 59.84 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 65.1 mtm -109.03 -168.66 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.145 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.64 -148.43 5.04 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.643 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.55 136.6 43.36 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.441 2.094 . . . . 0.0 111.762 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 63.18 86.17 0.15 Allowed Pre-proline 0 N--CA 1.464 0.255 0 O-C-N 123.603 0.565 . . . . 0.0 111.054 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -86.35 164.65 9.63 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.045 2.496 . . . . 0.0 112.329 178.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.1 139.68 47.33 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.574 2.183 . . . . 0.0 112.19 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -61.87 -25.04 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.485 -178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.448 ' HE1' ' HA ' ' B' ' 35' ' ' ASP . 58.9 m-70 -55.5 -58.09 9.19 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.208 0.528 . . . . 0.0 109.956 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.607 ' HG2' ' HG3' ' B' ' 42' ' ' MET . 66.4 mtt180 -64.13 -36.81 85.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.17 -176.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 67.5 mt -60.24 -52.62 64.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.744 0.307 . . . . 0.0 111.001 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 21.5 ptt180 -65.78 -33.23 75.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.6 -177.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.72 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -73.52 -46.27 48.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.659 -178.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 92.8 mmm -66.08 -24.47 66.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.818 -177.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -53.29 -55.76 22.07 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.529 173.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.0 m -76.8 -34.54 57.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.012 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -58.03 -51.62 68.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.29 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.435 ' HE1' ' HA ' ' A' ' 19' ' ' THR . 19.3 ttt -59.24 -41.39 88.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 110.781 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.17 -43.19 98.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.99 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.91 -33.88 76.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.927 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 45.4 mt-10 -64.84 -27.53 68.94 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.5 t -80.3 -44.41 22.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.096 0.474 . . . . 0.0 110.223 174.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.83 92.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.718 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -60.08 -38.61 83.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.973 0.416 . . . . 0.0 110.707 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.61 HG13 ' HB3' ' A' ' 36' ' ' GLN . 54.7 t -67.4 -43.6 87.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.779 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.58 -42.81 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.088 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.41 -30.64 71.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.532 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.4 m -85.7 76.73 9.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.318 0.58 . . . . 0.0 110.363 178.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 61.4 p -154.01 167.72 13.18 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.637 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.68 145.32 99.07 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.263 1.975 . . . . 0.0 111.053 174.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.23 -17.67 44.98 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.178 1.919 . . . . 0.0 112.329 -172.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -93.9 -1.54 54.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.095 0.474 . . . . 0.0 110.364 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.4 m -122.43 -1.49 9.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.024 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -58.29 -47.07 84.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.363 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.1 t -66.92 -35.24 79.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.987 0.422 . . . . 0.0 110.163 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.52 -49.86 69.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.89 -44.61 96.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.477 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.5 -52.25 66.16 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.706 -178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -59.18 -43.74 92.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.23 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.3 m -58.24 -46.23 86.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.5 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 93' ' ' ILE . 0.8 OUTLIER -68.68 -42.74 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 177.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.92 -40.42 95.29 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.057 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -66.63 -46.83 74.53 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 174.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.8 m -54.91 -45.87 74.79 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.448 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.627 HD11 HD22 ' A' ' 22' ' ' LEU . 3.6 mp -49.52 -49.97 43.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.987 0.423 . . . . 0.0 111.349 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.494 ' HG3' HG22 ' A' ' 108' ' ' VAL . 80.4 ttt180 -65.08 -49.23 70.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.909 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 22.2 mm-40 -63.42 -47.41 82.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.026 -179.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.6 m -56.44 -46.4 80.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.36 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.528 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 14.1 mmt -59.56 -50.28 74.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.795 0.331 . . . . 0.0 110.655 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.1 ttm -63.1 -38.23 90.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.56 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -84.48 -9.26 58.53 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -177.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.32 -48.35 5.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.948 0.404 . . . . 0.0 111.414 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.49 HG21 HG22 ' A' ' 8' ' ' ILE . 65.4 p -111.17 -14.65 13.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.047 0.451 . . . . 0.0 111.745 -173.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.25 1.29 66.92 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.854 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.4 m -149.71 159.24 44.5 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.528 ' HA ' ' HB3' ' A' ' 101' ' ' MET . 7.7 p -107.3 116.37 50.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.413 0.625 . . . . 0.0 111.066 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -78.33 134.23 37.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.096 175.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -94.32 -23.35 17.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.726 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.96 61.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.737 -176.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.468 ' O ' HG22 ' A' ' 116' ' ' VAL . 79.3 t80 -68.2 -49.25 62.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.704 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.534 ' HA ' HD23 ' A' ' 97' ' ' LEU . 43.8 m -57.46 -42.41 82.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.475 -177.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -71.56 -39.75 70.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.66 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -59.33 -42.59 91.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 112' ' ' PHE . 58.4 t -59.57 -39.75 80.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.984 0.421 . . . . 0.0 110.752 177.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.54 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 27.3 mmt -66.72 -42.19 86.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.245 -177.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -66.98 -44.02 81.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.472 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.494 HD23 ' HE3' ' B' ' 122' ' ' MET . 24.1 mt -56.41 -50.04 72.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.405 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 12.9 p -70.52 -32.18 48.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.552 -174.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -71.13 -38.06 72.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.922 0.391 . . . . 0.0 110.292 177.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.48 ' HE1' HD21 ' B' ' 119' ' ' LEU . 38.2 ttp -65.87 -39.98 91.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.899 178.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.7 mt -71.67 -15.8 62.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 t -95.98 16.75 16.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.368 0.604 . . . . 0.0 109.92 178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -103.11 34.35 2.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.357 0.598 . . . . 0.0 110.361 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -60.64 136.15 57.98 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.328 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.9 p -82.94 108.24 16.12 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.905 171.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.16 24.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.098 0.475 . . . . 0.0 111.922 -175.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -99.68 125.75 45.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.822 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -72.83 116.43 13.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.392 0.615 . . . . 0.0 110.533 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 30.1 m -87.86 1.87 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.029 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -148.59 -179.2 6.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.344 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 38.2 m . . . . . 0 C--N 1.323 -0.563 0 CA-C-O 120.569 0.223 . . . . 0.0 110.84 178.526 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.502 0 N-CA-C 112.135 -0.386 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.6 p -119.5 153.91 34.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.629 0.252 . . . . 0.0 110.558 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.7 -165.27 25.09 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.609 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -66.42 -41.29 89.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.421 0.629 . . . . 0.0 109.625 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -154.77 143.86 21.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.092 174.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.437 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 0.6 OUTLIER -119.0 125.96 27.37 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-O 120.749 0.309 . . . . 0.0 111.043 -178.163 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' B' ' 6' ' ' GLN . 9.9 Cg_exo -72.26 145.71 44.12 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.816 2.344 . . . . 0.0 111.382 176.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.799 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.5 pp -76.35 -9.24 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.955 0.407 . . . . 0.0 111.502 -176.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -77.37 23.36 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.025 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.481 HG23 ' ND2' ' B' ' 11' ' ' ASN . 8.8 t -86.77 -5.48 59.1 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 172.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.481 ' ND2' HG23 ' B' ' 10' ' ' THR . 56.8 m-80 -135.56 115.54 11.57 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.635 175.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -68.97 -42.98 3.68 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 123.02 2.48 . . . . 0.0 113.34 -173.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -69.8 -29.53 66.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.287 0.565 . . . . 0.0 110.072 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.07 74.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.182 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.99 83.96 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.755 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' MET . . . . . 0.417 ' HE1' ' HG3' ' B' ' 51' ' ' MET . 41.7 ttm -60.86 -30.74 70.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.989 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 52.3 m -68.1 -33.19 74.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.015 178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 1.049 ' HE3' ' HG ' ' B' ' 97' ' ' LEU . 0.3 OUTLIER -67.43 -41.36 84.94 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.79 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.41 HG21 ' HE3' ' B' ' 43' ' ' MET . 0.2 OUTLIER -61.39 -43.42 98.9 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.426 177.641 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -66.26 -45.23 81.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.81 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . 0.527 ' HA ' ' CG ' ' B' ' 24' ' ' GLN . 85.9 m-20 -65.75 -24.92 67.06 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.508 -178.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' B' ' 97' ' ' LEU . 32.7 mt -68.01 -45.89 72.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.999 0.428 . . . . 0.0 110.09 172.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 46.3 t -60.07 -49.78 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.423 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.527 ' CG ' ' HA ' ' B' ' 21' ' ' ASN . 3.7 pp0? -62.76 -36.11 81.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.872 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 38.2 t -71.28 -40.17 71.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.25 0.548 . . . . 0.0 110.098 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.495 ' HB2' HD11 ' B' ' 32' ' ' LEU . . . -65.89 -38.12 87.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.455 0.645 . . . . 0.0 110.768 175.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 34.9 t -66.75 -36.11 81.67 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.408 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 10.8 ptp180 -92.04 0.22 57.47 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -177.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 21.2 p -95.59 -42.62 8.32 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.296 175.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.43 31.63 60.79 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.602 176.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.45 HG12 HD12 ' B' ' 32' ' ' LEU . 14.7 p -103.04 -8.97 9.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.237 0.542 . . . . 0.0 110.393 178.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' B' ' 26' ' ' ALA . 5.3 mp -107.03 153.89 21.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.367 178.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 73.5 p -86.01 174.76 8.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.51 178.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.56 -33.15 75.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.738 0.304 . . . . 0.0 110.982 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.448 ' HA ' ' HE1' ' A' ' 61' ' ' HIS . 28.5 t0 -62.08 -45.6 92.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.145 0.497 . . . . 0.0 109.743 177.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.426 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 52.2 mt-30 -68.69 -44.91 72.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.702 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 79.6 mmm -62.16 -49.0 77.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.831 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.43 -28.99 66.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 110.608 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -65.26 -43.33 91.63 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.2 mtp -67.3 -35.9 80.42 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.399 175.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.72 -41.53 99.05 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.429 -0.669 . . . . 0.0 111.429 175.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.607 ' HG3' ' HG2' ' A' ' 62' ' ' ARG . 17.9 tmm? -63.17 -39.01 93.43 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 176.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' MET . . . . . 0.523 ' O ' HG22 ' B' ' 47' ' ' VAL . 35.0 ttp -56.55 -47.39 79.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.126 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.45 87.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.179 0.514 . . . . 0.0 110.264 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.31 -43.35 86.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.683 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.4 p -65.03 -42.01 94.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.442 0.163 . . . . 0.0 111.206 -178.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.523 HG22 ' O ' ' B' ' 43' ' ' MET . 40.1 t -61.19 -46.82 95.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 121.264 0.554 . . . . 0.0 110.106 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -68.76 -35.09 76.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.237 -176.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 66.9 m -72.42 -23.87 61.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.392 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -79.23 -15.64 57.71 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.658 174.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.417 ' HG3' ' HE1' ' B' ' 16' ' ' MET . 95.7 mmm -79.06 -10.54 59.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.372 0.606 . . . . 0.0 109.686 172.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -88.64 -34.22 17.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 170.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' B' ' 53' ' ' LYS . 27.2 mmmt -67.99 -40.15 83.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.869 175.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' MET . . . . . 0.707 ' SD ' ' HB3' ' B' ' 58' ' ' PRO . 63.9 mtm -95.44 131.94 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.209 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -93.3 -118.11 2.69 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.693 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.2 108.92 2.58 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 122.747 2.298 . . . . 0.0 112.842 -176.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.423 HD21 ' N ' ' B' ' 57' ' ' ASN . 0.9 OUTLIER 65.17 92.08 0.07 OUTLIER Pre-proline 0 N--CA 1.468 0.461 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.194 179.153 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . 0.707 ' HB3' ' SD ' ' B' ' 54' ' ' MET . 33.2 Cg_exo -60.07 157.57 33.81 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 123.188 2.592 . . . . 0.0 113.519 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.498 ' HD2' ' SD ' ' B' ' 54' ' ' MET . 19.2 Cg_endo -62.56 125.01 15.22 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 123.316 2.677 . . . . 0.0 111.716 176.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -51.4 -40.88 60.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.378 -178.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.479 ' HA ' ' HG2' ' B' ' 64' ' ' ARG . 2.0 p-80 -66.92 -31.32 71.83 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.734 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.691 ' HD3' ' SD ' ' B' ' 54' ' ' MET . 34.6 ttt180 -74.86 -25.47 59.0 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.151 -0.62 . . . . 0.0 109.475 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.0 mt -71.29 -51.2 25.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.249 175.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.479 ' HG2' ' HA ' ' B' ' 61' ' ' HIS . 10.2 ptt180 -68.88 -22.26 64.2 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.806 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.02 -50.88 37.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.238 0.542 . . . . 0.0 110.345 174.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 94.9 mmm -64.95 -21.58 66.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.289 -178.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -56.13 -46.31 79.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.267 171.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.475 ' HA ' ' OE1' ' B' ' 115' ' ' GLU . 57.6 m -80.1 -37.59 33.38 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.697 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . 0.496 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -61.06 -52.06 66.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.483 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.5 ttt -59.72 -43.02 94.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.951 0.405 . . . . 0.0 110.698 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . 0.457 ' HB3' HG23 ' B' ' 116' ' ' VAL . . . -63.32 -43.55 97.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.973 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.4 ' HA ' HD13 ' B' ' 119' ' ' LEU . . . -63.17 -39.69 95.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.921 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.511 ' O ' HG22 ' B' ' 77' ' ' VAL . 43.1 mt-10 -62.38 -46.58 87.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.559 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 44.3 t -60.19 -48.61 87.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.743 0.306 . . . . 0.0 110.873 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.19 -40.41 89.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.804 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.72 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 24.4 tt0 -59.15 -49.15 78.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.55 176.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.511 HG22 ' O ' ' B' ' 73' ' ' GLU . 72.6 t -56.61 -39.61 63.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.215 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.3 t -75.35 -46.72 37.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.176 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.401 ' HB2' HG22 ' B' ' 120' ' ' VAL . . . -67.21 -38.68 85.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.515 -177.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 5.1 m -83.99 68.02 9.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.395 0.616 . . . . 0.0 110.443 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.0 p -144.91 171.69 6.29 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.859 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.3 137.18 59.35 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.535 1.49 . . . . 0.0 110.422 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.16 -21.01 57.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.753 2.302 . . . . 0.0 111.849 -175.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -65.51 -50.4 65.41 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.557 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' SER . . . . . 0.435 ' O ' HG22 ' B' ' 89' ' ' VAL . 45.5 m -91.27 -9.88 43.48 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.263 -175.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -47.11 -59.74 2.94 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.257 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 40.5 m -58.7 -36.02 73.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.726 -175.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.79 -46.56 57.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.14 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.435 HG22 ' O ' ' B' ' 85' ' ' SER . 87.1 t -59.14 -42.66 87.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.204 0.525 . . . . 0.0 109.924 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.68 -51.63 69.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.694 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -60.09 -38.74 83.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.604 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 84.2 m -64.51 -53.7 44.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.77 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.7 OUTLIER -60.05 -44.93 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.06 179.694 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.97 -43.05 87.89 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.394 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.08 -41.4 74.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.671 0.272 . . . . 0.0 110.746 178.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 94.7 m -62.3 -34.48 76.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.334 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 1.049 ' HG ' ' HE3' ' B' ' 18' ' ' MET . 2.5 mp -58.58 -51.58 69.31 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.701 0.286 . . . . 0.0 111.327 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.489 ' HG3' HG21 ' B' ' 108' ' ' VAL . 39.4 ttp180 -55.92 -45.8 78.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.513 -178.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.57 -47.29 70.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.931 -177.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 58.1 m -55.88 -42.13 75.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.528 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.504 ' SD ' ' HG3' ' B' ' 18' ' ' MET . 13.9 mmt -63.56 -44.03 95.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.906 0.384 . . . . 0.0 110.911 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.403 ' HE3' ' HB2' ' B' ' 102' ' ' MET . 23.9 ttm -68.45 -26.18 65.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.117 -177.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -85.75 -34.36 21.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.822 0.344 . . . . 0.0 110.968 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.09 -53.84 8.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.384 -177.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.799 HG21 ' HB ' ' B' ' 8' ' ' ILE . 81.4 p -103.57 -48.62 3.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.241 0.543 . . . . 0.0 110.691 -177.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.98 -0.69 6.68 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.482 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 48.3 m -147.91 149.2 31.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.489 HG21 ' HG3' ' B' ' 98' ' ' ARG . 2.9 p -85.61 111.08 20.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.383 0.611 . . . . 0.0 111.537 -176.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . 0.467 ' HB3' ' HE1' ' B' ' 101' ' ' MET . 10.6 t70 -68.3 111.85 4.84 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.726 175.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.22 -28.45 42.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.42 -175.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.97 87.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.965 0.412 . . . . 0.0 110.716 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . 0.408 ' O ' HG22 ' B' ' 116' ' ' VAL . 81.5 t80 -69.06 -51.97 33.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.416 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.541 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 15.2 m -57.96 -32.72 68.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.765 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -70.74 -47.02 61.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.607 0.241 . . . . 0.0 110.842 178.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . 0.475 ' OE1' ' HA ' ' B' ' 68' ' ' THR . 23.2 tt0 -58.58 -44.32 89.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 -176.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.457 HG23 ' HB3' ' B' ' 71' ' ' ALA . 64.8 t -59.47 -39.54 79.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.759 -178.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.59 ' HA ' ' HE2' ' B' ' 117' ' ' MET . 28.2 mmt -68.01 -39.34 83.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.961 0.41 . . . . 0.0 110.547 -175.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -76.38 -34.91 58.88 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.264 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.48 HD21 ' HE1' ' A' ' 122' ' ' MET . 13.0 mt -57.87 -51.08 71.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.055 176.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . 0.401 HG22 ' HB2' ' B' ' 79' ' ' ALA . 11.7 p -67.39 -37.51 79.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.091 -175.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -63.86 -40.69 97.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.939 0.4 . . . . 0.0 110.562 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.494 ' HE3' HD23 ' A' ' 119' ' ' LEU . 45.8 ttp -68.87 -44.28 73.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.889 178.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 89.2 mt -75.98 -5.2 45.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.907 0.384 . . . . 0.0 111.02 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 23.1 t -84.7 -1.9 56.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.556 0.693 . . . . 0.0 109.842 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -84.58 90.43 7.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.341 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -77.52 94.83 4.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.956 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 1.4 p -93.23 70.6 4.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.685 0.755 . . . . 0.0 110.981 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -108.07 36.01 2.93 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.2 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -45.58 114.7 0.8 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.246 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -74.48 87.04 2.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.205 0.526 . . . . 0.0 111.606 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 24.5 m -104.11 11.73 8.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.767 0.794 . . . . 0.0 109.79 174.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 48.0 m -145.06 166.47 25.27 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.565 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.252 1.194 0 CA-C-O 118.503 -0.761 . . . . 0.0 110.129 -178.116 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.577 ' HA2' HG22 ' A' ' 10' ' ' THR . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -138.82 159.54 41.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 105.31 -176.41 22.5 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -177.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -70.85 -69.89 0.34 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -93.52 125.26 38.03 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 170.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -107.0 118.24 54.53 Favored Pre-proline 0 C--N 1.316 -0.876 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.048 -169.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.403 ' HA ' ' OD2' ' A' ' 109' ' ' ASP . 86.2 Cg_endo -87.58 170.13 6.66 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.864 2.376 . . . . 0.0 111.318 172.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.446 HG21 ' HB2' ' A' ' 109' ' ' ASP . 6.2 pt -72.17 -12.43 15.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.693 0.282 . . . . 0.0 111.413 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -73.41 87.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.697 0.761 . . . . 0.0 111.769 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.577 HG22 ' HA2' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -147.32 -37.45 0.21 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.36 -1.291 . . . . 0.0 108.876 175.552 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.408 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 45.6 m-80 -101.57 127.7 30.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.119 170.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 11' ' ' ASN . 7.4 Cg_exo -65.62 -55.72 0.41 Allowed 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.627 2.218 . . . . 0.0 112.826 -172.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -72.25 -26.11 61.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.387 -174.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.89 77.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.102 0.477 . . . . 0.0 110.125 176.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.46 -34.85 68.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.874 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.486 ' HE3' ' HG3' ' A' ' 51' ' ' MET . 50.7 ttm -59.55 -29.08 67.66 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.116 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.7 m -60.77 -36.32 78.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.956 0.408 . . . . 0.0 110.083 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.882 ' HE3' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -65.85 -41.44 91.69 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.06 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.537 ' HA ' ' HE2' ' A' ' 70' ' ' MET . 1.9 m -60.29 -50.38 73.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.992 178.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.77 -42.12 97.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.983 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -69.14 -25.54 64.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.372 -177.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.97 -47.57 79.88 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.32 173.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.74 -41.02 88.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.113 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -62.18 -39.96 94.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.976 176.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.537 ' HA ' ' HD3' ' A' ' 28' ' ' ARG . 12.6 t -70.26 -35.53 73.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.956 0.407 . . . . 0.0 110.509 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.09 -38.7 75.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.013 0.435 . . . . 0.0 110.76 176.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.8 t -72.2 -21.44 61.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.442 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.537 ' HD3' ' HA ' ' A' ' 25' ' ' CYS . 1.6 ptm180 -94.29 -17.7 22.37 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 111.043 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.9 p -88.45 -43.95 11.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.954 0.407 . . . . 0.0 110.576 177.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.01 24.9 75.87 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.906 -0.588 . . . . 0.0 113.107 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.5 t -83.59 -27.69 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.373 0.606 . . . . 0.0 110.221 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.545 ' HB3' ' HB2' ' A' ' 36' ' ' GLN . 5.6 mp -86.59 154.28 21.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.012 -174.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 75.8 p -87.85 178.41 6.72 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.603 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.69 94.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.561 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -51.46 -52.97 41.94 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.465 176.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.545 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 42.5 mt-30 -67.64 -45.44 75.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.448 -176.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 86.3 mmm -64.7 -43.84 92.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.672 -177.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -63.43 -35.21 79.69 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.115 0.483 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.479 ' HB3' HG21 ' A' ' 77' ' ' VAL . 1.9 t70 -63.69 -45.08 91.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.385 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.407 ' O ' ' HB3' ' A' ' 43' ' ' MET . 91.3 mtp -66.94 -30.93 71.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.664 178.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.98 -50.02 67.14 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.999 177.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -68.22 -25.46 65.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.649 0.261 . . . . 0.0 110.328 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.418 ' O ' HG22 ' A' ' 47' ' ' VAL . 48.4 ttp -58.82 -54.3 48.7 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.06 0.457 . . . . 0.0 110.189 176.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.5 83.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.552 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.4 -42.54 92.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.308 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.2 p -64.85 -30.21 71.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.675 0.274 . . . . 0.0 111.3 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 43' ' ' MET . 59.2 t -73.52 -42.14 56.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.253 0.549 . . . . 0.0 110.128 175.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -69.01 -41.9 77.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.702 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.664 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 12.4 p -64.8 -24.58 67.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.375 -178.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.528 ' HG2' ' HE2' ' A' ' 54' ' ' MET . 32.8 tt0 -65.64 -38.83 90.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.572 ' HA ' ' HE1' ' A' ' 51' ' ' MET . 0.6 OUTLIER -67.35 -39.46 85.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.568 -179.097 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.664 ' HG2' ' HA ' ' A' ' 49' ' ' SER . 17.8 pt20 -77.08 -28.34 54.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.043 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -73.84 -36.19 64.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.033 0.444 . . . . 0.0 110.451 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.528 ' HE2' ' HG2' ' A' ' 50' ' ' GLN . 56.6 mtm -94.04 -163.23 1.02 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.083 177.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.16 -170.87 13.05 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.483 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.15 147.31 72.72 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.589 2.193 . . . . 0.0 111.742 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.2 m120 60.54 74.7 0.52 Allowed Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.887 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -88.28 172.01 5.24 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.911 2.407 . . . . 0.0 113.044 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -63.93 140.07 71.1 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.933 2.422 . . . . 0.0 111.934 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -65.65 -40.11 92.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.884 -176.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.555 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 11.6 p80 -63.55 -25.76 68.39 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.257 -178.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.539 ' O ' ' HG2' ' A' ' 66' ' ' MET . 96.5 mtt180 -71.48 -35.02 70.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.052 0.453 . . . . 0.0 110.104 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.92 -45.15 44.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.593 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' A' ' 61' ' ' HIS . 1.8 ppt_? -60.46 -29.34 68.97 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.217 178.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.623 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -71.46 -45.0 63.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.948 178.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 97.2 mmm -59.78 -26.5 65.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.92 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.464 ' HB3' ' O ' ' A' ' 64' ' ' ARG . 17.1 t-20 -52.24 -52.75 50.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.901 173.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.2 m -75.87 -33.65 59.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.381 -177.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.94 -48.12 83.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.043 0.449 . . . . 0.0 110.399 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.537 ' HE2' ' HA ' ' A' ' 19' ' ' THR . 18.9 ttt -63.0 -44.7 95.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.809 177.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.39 93.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.445 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.91 92.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.985 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 77' ' ' VAL . 24.4 mm-40 -62.3 -47.55 83.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.439 178.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.44 -42.51 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 0.0 110.587 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.5 93.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.743 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -56.9 -39.46 74.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.535 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 73' ' ' GLU . 54.8 t -64.37 -48.22 86.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.107 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.415 HG13 ' CD1' ' A' ' 90' ' ' LEU . 36.4 t -72.31 -40.94 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.176 -177.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.59 -30.81 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 0.0 111.558 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.8 m -90.38 78.98 6.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.512 0.672 . . . . 0.0 110.368 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.8 p -158.35 168.85 11.61 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.343 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.09 142.11 97.66 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.012 1.808 . . . . 0.0 110.528 173.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.63 -20.53 69.38 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.502 2.135 . . . . 0.0 112.117 -171.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -88.29 -20.55 25.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.649 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.5 t -102.19 -16.7 16.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.139 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -51.42 -46.14 62.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.387 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.3 t -64.07 -41.82 97.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.687 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.69 -48.31 77.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.027 0.441 . . . . 0.0 110.648 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.485 HG12 ' HG ' ' A' ' 32' ' ' LEU . 93.9 t -63.96 -44.07 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.77 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.662 HD12 HG12 ' A' ' 120' ' ' VAL . 26.5 tp -61.85 -47.22 86.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 -177.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.53 -38.35 84.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.048 0.451 . . . . 0.0 110.336 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.6 m -64.12 -54.12 38.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.811 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 93' ' ' ILE . 0.7 OUTLIER -60.3 -46.66 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 179.09 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.54 -40.4 87.0 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.487 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.72 75.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.684 0.278 . . . . 0.0 110.747 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.51 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 96.6 m -64.89 -39.35 93.4 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.492 -179.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.882 ' HG ' ' HE3' ' A' ' 18' ' ' MET . 7.3 mp -54.31 -40.0 67.52 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.031 0.443 . . . . 0.0 111.084 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -67.1 -45.83 76.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.912 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.51 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 11.9 pt-20 -77.51 -36.06 52.92 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.499 -176.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.0 m -60.84 -35.3 76.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.428 176.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.5 ' HE2' ' HE1' ' A' ' 18' ' ' MET . 13.0 mmt -66.03 -44.2 85.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.881 177.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.459 ' O ' ' HA2' ' A' ' 106' ' ' GLY . 33.3 ttm -71.91 -21.7 61.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.924 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 99' ' ' GLU . 79.9 mt-30 -82.22 -40.84 21.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.962 0.41 . . . . 0.0 110.173 175.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.05 -53.17 10.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.802 -177.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.5 p -107.38 -33.1 7.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.085 0.469 . . . . 0.0 111.347 -175.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 102' ' ' MET . . . 104.19 -1.46 43.83 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.333 -176.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.6 p -132.09 148.48 52.49 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.342 -0.429 . . . . 0.0 109.902 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.2 t -85.12 103.63 12.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.086 0.469 . . . . 0.0 110.903 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.446 ' HB2' HG21 ' A' ' 8' ' ' ILE . 10.2 t70 -72.0 131.42 42.89 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 173.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -105.36 -27.42 11.49 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.468 -175.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.23 90.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.463 ' CZ ' ' HE3' ' A' ' 70' ' ' MET . 79.4 t80 -73.97 -49.18 25.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.316 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.522 ' HA ' HD21 ' A' ' 97' ' ' LEU . 7.8 m -56.97 -40.95 77.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.552 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.478 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 11.3 t30 -69.41 -43.16 74.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.557 0.218 . . . . 0.0 110.473 178.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.21 -48.15 76.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -177.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.408 HG23 HD23 ' A' ' 97' ' ' LEU . 61.1 t -61.57 -40.16 85.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.377 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.542 ' HE3' ' HA ' ' A' ' 117' ' ' MET . 31.2 mmt -66.4 -29.59 69.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -176.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 11.2 mm100 -85.47 -38.06 19.03 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.36 -179.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.485 HD22 ' HE1' ' B' ' 122' ' ' MET . 14.1 mt -56.03 -47.96 76.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.295 177.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.662 HG12 HD12 ' A' ' 90' ' ' LEU . 13.2 p -66.33 -34.19 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.652 -174.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 117' ' ' MET . 95.7 mttt -65.23 -46.22 81.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.324 0.583 . . . . 0.0 110.211 178.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.471 ' HE2' HD21 ' B' ' 119' ' ' LEU . 34.1 ttp -66.04 -39.16 89.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.429 -177.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 72.3 mt -71.15 -9.94 58.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.645 0.259 . . . . 0.0 111.633 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.0 t -106.37 6.69 30.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.689 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -158.75 -160.9 0.91 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.193 0.52 . . . . 0.0 111.172 -175.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -156.41 139.41 15.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.349 175.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 43.3 m -149.41 148.36 29.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.812 0.339 . . . . 0.0 110.098 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -101.4 41.77 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.997 0.427 . . . . 0.0 110.5 -177.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -53.29 115.24 1.8 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.247 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -127.21 74.84 1.54 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.771 0.796 . . . . 0.0 109.296 171.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 28.4 m -85.76 -19.98 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.421 -176.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.1 p -111.27 158.23 19.23 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.235 178.729 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.199 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m 60.38 72.94 0.5 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.388 0.613 . . . . 0.0 111.478 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.71 -171.29 43.68 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.79 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -74.71 -54.94 6.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.998 0.428 . . . . 0.0 109.847 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 24.6 m -90.27 156.0 18.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.7 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -116.45 90.7 31.13 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 120.961 0.41 . . . . 0.0 110.781 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -90.02 161.08 4.9 Favored 'Trans proline' 0 N--CA 1.453 -0.912 0 C-N-CA 122.933 2.422 . . . . 0.0 112.115 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.957 ' HB ' HG23 ' B' ' 105' ' ' THR . 2.6 pp -74.76 -20.9 16.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.22 0.533 . . . . 0.0 110.937 178.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . 0.523 ' HZ3' ' HE2' ' B' ' 70' ' ' MET . 1.9 t-105 -80.22 74.37 7.05 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.464 0.65 . . . . 0.0 110.607 -171.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 17.8 m -122.33 -25.0 4.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.078 175.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -111.53 137.96 21.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.152 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -67.12 -43.22 6.69 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.628 2.219 . . . . 0.0 112.408 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -62.38 -44.45 96.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.151 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.28 99.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.134 0.492 . . . . 0.0 110.593 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.92 -43.6 95.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.715 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 41.1 ttm -62.08 -39.14 91.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.294 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 36.4 m -59.19 -45.71 90.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.693 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 1.042 ' HE3' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -59.1 -43.91 91.91 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.5 m -61.43 -50.77 71.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.986 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.35 -42.63 98.93 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -65.51 -29.6 70.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.269 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.446 HD21 ' HA ' ' B' ' 22' ' ' LEU . 24.7 mt -64.31 -46.39 83.77 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 173.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.78 -43.83 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.149 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.434 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 48.5 mt-30 -61.68 -44.35 97.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 177.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . 0.537 ' HA ' ' HD3' ' B' ' 28' ' ' ARG . 8.5 t -67.1 -32.02 72.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.964 0.411 . . . . 0.0 110.62 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.507 ' HB2' HD12 ' B' ' 32' ' ' LEU . . . -70.86 -40.5 72.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.242 0.544 . . . . 0.0 110.938 175.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 24.2 t -66.15 -39.6 89.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.793 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.537 ' HD3' ' HA ' ' B' ' 25' ' ' CYS . 3.0 ptm180 -75.65 -31.92 60.0 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.388 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.3 p -72.09 -49.59 35.1 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.534 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.87 24.08 62.8 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.552 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.6 p -95.94 -6.22 9.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.444 0.64 . . . . 0.0 110.445 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.507 HD12 ' HB2' ' B' ' 26' ' ' ALA . 6.1 mp -101.4 150.49 22.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.577 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 72.5 p -90.31 -179.33 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.891 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.0 -44.81 87.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.2 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.59 ' O ' ' HB2' ' B' ' 39' ' ' ASP . 16.2 m-20 -62.62 -41.39 98.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.576 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.486 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 52.3 mt-30 -70.07 -44.14 69.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.038 -179.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 83.9 mmm -67.62 -50.4 58.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.797 -177.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.06 -34.33 76.06 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.036 0.446 . . . . 0.0 110.307 -178.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.59 ' HB2' ' O ' ' B' ' 35' ' ' ASP . 0.4 OUTLIER -59.42 -53.66 55.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.499 177.422 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.549 ' HG2' HG22 ' B' ' 77' ' ' VAL . 1.1 mtm -66.63 -30.94 71.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.614 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.33 -46.41 90.74 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.33 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.48 ' HE3' ' HA ' ' A' ' 62' ' ' ARG . 24.9 ptt? -71.01 -24.23 62.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.049 0.452 . . . . 0.0 110.034 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' MET . . . . . 0.663 ' SD ' ' HG2' ' B' ' 70' ' ' MET . 53.9 ttp -59.43 -52.31 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.265 174.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.24 85.81 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.634 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -55.76 -43.01 76.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.464 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 64.6 m -63.74 -38.33 90.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.857 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.452 HG21 ' O ' ' B' ' 43' ' ' MET . 18.8 t -65.17 -40.36 88.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.156 0.503 . . . . 0.0 109.994 177.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -67.88 -47.08 69.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.541 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.498 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 4.4 p -64.08 -33.48 75.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.316 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -58.79 -45.11 90.61 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.676 0.274 . . . . 0.0 110.838 175.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 74.7 mtp -59.13 -32.91 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.757 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -79.15 -24.93 42.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.26 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' B' ' 49' ' ' SER . 2.7 mmmp? -81.99 -20.08 39.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.11 0.481 . . . . 0.0 110.659 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 76.5 mtm -104.23 -66.95 0.92 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.098 -178.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.96 -174.45 19.88 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 -176.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.71 151.57 36.55 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.515 2.143 . . . . 0.0 112.075 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 15.9 m120 59.39 70.26 1.14 Allowed Pre-proline 0 N--CA 1.465 0.291 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.725 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -83.84 168.27 12.46 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.583 2.188 . . . . 0.0 113.206 -175.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -67.0 140.44 54.52 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 123.048 2.499 . . . . 0.0 111.935 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -66.22 -33.58 76.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.754 -177.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.564 ' HA ' ' HG3' ' B' ' 64' ' ' ARG . 4.6 p80 -67.45 -32.7 73.73 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.867 -177.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -68.45 -23.62 64.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.248 0.547 . . . . 0.0 109.65 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.72 -43.63 19.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.766 177.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.564 ' HG3' ' HA ' ' B' ' 61' ' ' HIS . 2.2 ppt_? -65.88 -22.88 66.55 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.756 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.67 -51.57 10.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.636 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.415 ' HA ' ' HB2' ' B' ' 69' ' ' ALA . 92.6 mmm -62.23 -22.48 65.99 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.401 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -55.47 -44.03 76.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.154 0.502 . . . . 0.0 109.785 173.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 71.0 m -81.47 -34.35 31.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.96 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . 0.415 ' HB2' ' HA ' ' B' ' 66' ' ' MET . . . -59.56 -54.83 41.97 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' MET . . . . . 0.663 ' HG2' ' SD ' ' B' ' 43' ' ' MET . 10.8 tmm? -59.66 -42.12 92.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.623 0.725 . . . . 0.0 110.326 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . 0.584 ' HB2' ' CE1' ' B' ' 112' ' ' PHE . . . -65.79 -39.89 91.39 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.464 -177.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.71 96.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.742 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.459 ' O ' HG23 ' B' ' 77' ' ' VAL . 3.0 mm-40 -56.06 -56.64 18.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.637 175.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.439 HG23 ' SD ' ' B' ' 40' ' ' MET . 65.4 t -53.43 -49.01 56.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.532 178.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.82 99.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.529 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.623 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 40.6 tt0 -66.07 -39.26 89.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.743 0.306 . . . . 0.0 110.25 178.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.549 HG22 ' HG2' ' B' ' 40' ' ' MET . 41.6 t -57.32 -39.99 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.588 175.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.429 HG21 ' O ' ' B' ' 74' ' ' VAL . 77.0 t -71.38 -52.11 28.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.034 177.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.435 ' HB1' HG22 ' B' ' 120' ' ' VAL . . . -60.42 -35.71 76.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.22 -176.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 15.3 m -87.33 77.55 8.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.46 0.648 . . . . 0.0 110.731 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 66.4 p -156.72 165.32 19.01 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.039 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.0 142.48 99.44 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.076 1.851 . . . . 0.0 110.511 174.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -62.4 -20.99 72.08 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.332 2.021 . . . . 0.0 111.893 -173.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -80.02 -19.38 47.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.113 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 11.0 t -111.25 -19.12 12.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.322 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -51.32 -47.31 62.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.862 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 11.1 t -64.01 -39.3 93.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.853 0.359 . . . . 0.0 110.709 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.94 -46.07 72.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.89 -42.89 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.292 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.32 -52.21 66.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.388 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -60.22 -34.63 73.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.346 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 97.5 m -68.97 -55.57 10.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.725 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.2 mm -59.08 -46.14 92.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.085 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.25 -41.8 71.59 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.624 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.02 -37.81 57.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.564 0.221 . . . . 0.0 111.347 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' CYS . . . . . 0.449 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 89.7 m -63.63 -33.59 75.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.002 179.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 1.042 ' HG ' ' HE3' ' B' ' 18' ' ' MET . 3.1 mp -58.4 -43.21 88.49 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.472 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -63.48 -48.43 77.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.56 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' B' ' 103' ' ' GLN . 13.2 pt-20 -70.48 -38.81 74.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.096 -176.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 74.0 m -59.5 -38.54 81.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.741 0.305 . . . . 0.0 110.7 177.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.544 ' SD ' HG12 ' B' ' 8' ' ' ILE . 13.7 mmt -62.79 -42.76 99.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.922 178.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.408 ' O ' ' HA2' ' B' ' 106' ' ' GLY . 36.0 ttm -75.57 -21.12 58.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' B' ' 99' ' ' GLU . 17.2 mm-40 -83.0 -28.43 29.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.06 0.457 . . . . 0.0 110.279 175.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.14 -67.51 0.81 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.419 -177.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.957 HG23 ' HB ' ' B' ' 8' ' ' ILE . 82.3 p -92.08 -31.71 15.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.183 0.516 . . . . 0.0 110.614 -177.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' B' ' 102' ' ' MET . . . 103.17 -1.95 47.3 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -176.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' B' ' 101' ' ' MET . 22.9 p -131.95 149.97 52.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.443 -0.379 . . . . 0.0 110.194 -178.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 57.4 t -88.91 110.51 21.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.861 -179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . 0.419 ' HB2' HG22 ' B' ' 8' ' ' ILE . 12.8 t70 -86.79 109.22 19.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -82.29 -25.42 34.02 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.009 -0.277 . . . . 0.0 110.714 -177.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.18 -48.45 81.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.962 0.41 . . . . 0.0 110.925 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' B' ' 71' ' ' ALA . 78.9 t80 -67.6 -51.89 45.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.362 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.553 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 16.0 m -54.56 -34.76 62.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.669 177.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 9.5 t30 -71.19 -40.67 71.08 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 177.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -54.84 -49.27 71.49 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.285 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.487 HG23 HD22 ' B' ' 97' ' ' LEU . 98.9 t -59.85 -36.59 67.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.439 -178.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.554 ' O ' ' HG3' ' B' ' 121' ' ' LYS . 31.1 mmt -70.24 -35.16 73.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.029 0.442 . . . . 0.0 110.197 -177.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' B' ' 114' ' ' ASN . 14.1 mm100 -75.24 -42.43 55.3 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.414 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.471 HD21 ' HE2' ' A' ' 122' ' ' MET . 13.3 mt -55.75 -47.6 76.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.121 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . 0.435 HG22 ' HB1' ' B' ' 79' ' ' ALA . 11.9 p -70.22 -35.14 61.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.323 -175.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' B' ' 117' ' ' MET . 96.8 mttt -67.09 -45.58 76.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.035 0.445 . . . . 0.0 110.192 177.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.485 ' HE1' HD22 ' A' ' 119' ' ' LEU . 31.7 ttp -64.36 -40.11 95.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.018 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 80.0 mt -72.72 -11.69 60.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 111.279 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 18.3 t -98.93 7.92 45.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.125 0.488 . . . . 0.0 109.987 176.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -155.09 -151.5 0.35 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.93 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -145.15 92.01 2.21 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 173.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 16.5 m -84.48 106.48 16.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.108 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -120.96 20.77 11.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.233 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -68.88 143.38 54.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.034 0.445 . . . . 0.0 111.037 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -101.7 92.1 4.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.655 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 13.0 m -116.6 11.7 7.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.613 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 16.4 p -84.88 96.12 9.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.091 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 31.9 m . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.751 -0.642 . . . . 0.0 109.904 176.306 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -82.94 -43.36 16.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.87 -54.01 2.55 Favored Glycine 0 C--N 1.333 0.403 0 CA-C-N 115.768 -0.651 . . . . 0.0 113.471 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -74.03 130.41 39.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.042 0.448 . . . . 0.0 111.15 -175.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -92.93 145.43 24.39 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -103.2 109.42 61.61 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 -175.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -87.11 -178.39 2.48 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.956 2.437 . . . . 0.0 111.929 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.668 ' HB ' HG23 ' A' ' 105' ' ' THR . 0.9 OUTLIER -86.57 -4.73 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.98 0.419 . . . . 0.0 110.885 -179.665 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -87.14 75.3 9.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.252 0.549 . . . . 0.0 111.431 -176.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 p -120.87 -42.08 2.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.799 172.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -109.94 126.14 29.66 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.459 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -66.28 -33.27 39.59 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.675 2.25 . . . . 0.0 112.569 -175.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -71.92 -32.93 67.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.889 0.376 . . . . 0.0 110.32 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.48 86.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.095 0.474 . . . . 0.0 109.979 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.82 90.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.311 175.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.0 ttm -60.78 -29.66 69.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.856 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.5 m -62.36 -40.45 96.46 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.0 tpt -62.56 -42.19 99.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.305 174.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -63.39 -52.08 63.12 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.206 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -63.72 -44.89 92.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.302 -177.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.57 -33.82 75.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 0.0 110.555 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.666 HD13 HD11 ' A' ' 97' ' ' LEU . 12.3 tp -64.21 -45.39 88.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.278 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.7 t -66.28 -41.53 89.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.811 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -64.26 -35.22 80.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.658 0.266 . . . . 0.0 110.503 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.05 -35.06 79.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.341 0.591 . . . . 0.0 109.938 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.509 ' HB1' HD12 ' A' ' 32' ' ' LEU . . . -74.2 -35.73 63.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.292 0.568 . . . . 0.0 110.96 177.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.1 t -71.44 -26.47 62.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.266 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -90.01 -22.66 21.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.616 0.246 . . . . 0.0 111.107 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 p -82.21 -39.83 22.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.717 0.294 . . . . 0.0 110.922 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.25 8.92 80.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.63 177.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.601 HG12 HD13 ' A' ' 32' ' ' LEU . 14.2 p -79.12 -21.32 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.967 0.413 . . . . 0.0 110.389 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.601 HD13 HG12 ' A' ' 31' ' ' VAL . 5.4 mp -94.94 151.9 18.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.997 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.502 ' O ' ' HG2' ' A' ' 37' ' ' MET . 44.6 p -85.16 170.1 13.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.285 178.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.84 -30.56 71.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.95 0.405 . . . . 0.0 110.628 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.12 -54.0 51.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.552 174.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.46 ' HB3' ' CG1' ' A' ' 77' ' ' VAL . 47.8 mt-30 -65.44 -31.63 72.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.325 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' A' ' 33' ' ' THR . 88.1 mmm -68.8 -27.14 65.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.057 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.518 ' HB3' ' CE1' ' B' ' 61' ' ' HIS . 35.3 t70 -82.03 -28.42 32.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 177.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.511 ' OD2' ' HB1' ' B' ' 65' ' ' ALA . 0.9 OUTLIER -56.33 -60.86 2.91 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.501 0.667 . . . . 0.0 109.574 170.293 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.563 ' HG3' HG21 ' A' ' 77' ' ' VAL . 86.3 mtp -67.11 -26.42 66.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.704 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.13 -49.94 63.55 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.9 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.463 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 12.5 ptt? -71.81 -19.74 61.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.02 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.457 ' O ' HG21 ' A' ' 47' ' ' VAL . 57.4 ttp -60.52 -53.23 60.05 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 174.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.79 93.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.23 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.463 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 27.4 t70 -59.12 -42.63 91.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.042 177.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m -65.77 -33.85 76.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.82 0.343 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.457 HG21 ' O ' ' A' ' 43' ' ' MET . 47.8 t -70.01 -46.06 74.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.038 0.447 . . . . 0.0 110.009 176.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -64.76 -46.56 81.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.875 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.726 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 15.7 p -64.35 -33.53 76.05 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.3 -178.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.633 ' O ' ' HG2' ' A' ' 54' ' ' MET . 41.5 mt-30 -67.46 -33.69 75.64 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.241 -0.583 . . . . 0.0 111.294 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.491 ' HA ' ' HG2' ' A' ' 54' ' ' MET . 55.8 mtp -67.74 -21.42 65.28 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -97.03 -13.61 22.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.833 0.349 . . . . 0.0 110.789 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.726 ' HG2' ' O ' ' A' ' 49' ' ' SER . 75.0 mmtt -80.65 -35.02 34.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.261 0.553 . . . . 0.0 109.555 171.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.633 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 24.7 ptp -90.16 172.86 8.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.219 179.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -111.51 -172.47 19.36 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.874 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.68 129.18 26.84 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.668 2.245 . . . . 0.0 111.595 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 59.23 84.5 0.2 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.853 -172.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.529 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 74.2 Cg_endo -74.09 167.88 26.13 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.083 2.522 . . . . 0.0 112.795 -174.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -58.97 125.31 17.83 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.349 2.033 . . . . 0.0 111.412 174.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -58.87 -36.27 74.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.342 -175.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.763 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 5.5 p80 -68.1 -20.2 64.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.171 0.51 . . . . 0.0 110.854 -178.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.568 ' O ' ' HG3' ' A' ' 66' ' ' MET . 33.8 ttt180 -73.36 -36.95 66.2 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.54 -41.17 93.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.697 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.763 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 38.8 ptt180 -61.3 -40.17 93.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.447 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.512 ' HA ' ' HG3' ' B' ' 76' ' ' GLU . . . -68.67 -41.47 79.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.93 0.395 . . . . 0.0 111.133 178.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.568 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 82.1 mtp -67.39 -20.9 65.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.572 -176.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -56.96 -51.99 66.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.852 0.358 . . . . 0.0 110.344 174.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.456 HG23 ' HB3' ' B' ' 72' ' ' ALA . 7.1 m -72.78 -26.8 61.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.875 -178.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.04 -61.07 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.381 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.533 ' HE3' ' CZ ' ' A' ' 112' ' ' PHE . 57.7 ttp -60.57 -35.92 77.24 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.883 0.373 . . . . 0.0 110.582 -179.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.462 ' HB1' ' CE1' ' A' ' 112' ' ' PHE . . . -65.11 -52.77 53.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.512 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.86 83.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.424 -176.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.588 ' O ' HG22 ' A' ' 77' ' ' VAL . 9.9 mm-40 -59.94 -48.03 83.36 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.782 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.29 -44.66 98.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.323 . . . . 0.0 111.05 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.5 -39.37 90.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.645 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -59.51 -44.48 93.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.739 176.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 73' ' ' GLU . 69.1 t -61.57 -44.49 98.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.328 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.29 -47.2 47.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.401 -177.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.38 -38.51 91.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 111.395 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.7 m -86.36 68.02 10.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.443 0.64 . . . . 0.0 110.202 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.1 m -137.46 160.74 64.17 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.21 178.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.87 136.27 72.45 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.733 1.622 . . . . 0.0 110.384 173.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -62.84 -15.27 46.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.612 2.208 . . . . 0.0 112.463 -172.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -80.08 -13.69 59.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.232 -178.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.5 t -132.69 7.56 4.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.766 0.317 . . . . 0.0 111.221 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -57.63 -49.78 75.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.549 -178.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 t -65.29 -35.5 81.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.78 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.0 -49.69 71.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.081 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.74 -43.64 98.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.04 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.8 -51.55 69.12 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.399 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -55.61 -43.52 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.33 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.2 m -61.56 -56.63 17.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.225 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.4 mm -59.56 -45.27 94.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.318 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.81 -36.72 73.86 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.492 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.87 -39.24 51.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.656 0.265 . . . . 0.0 110.821 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.518 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 72.2 m -62.29 -40.77 97.37 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.682 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.666 HD11 HD13 ' A' ' 22' ' ' LEU . 6.3 mp -54.19 -40.34 67.47 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.906 0.384 . . . . 0.0 111.211 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.41 ' HG3' HG11 ' A' ' 108' ' ' VAL . 76.7 ttt180 -64.58 -48.98 72.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.733 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.518 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 14.8 pt-20 -76.32 -32.59 58.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.383 -174.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.4 m -63.81 -41.08 97.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.923 -0.126 . . . . 0.0 110.665 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.449 ' HB3' ' O ' ' A' ' 107' ' ' SER . 11.4 mmt -63.51 -41.62 98.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.933 0.397 . . . . 0.0 110.95 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.485 ' HE3' HG21 ' A' ' 108' ' ' VAL . 28.6 ttm -70.27 -19.97 63.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -96.87 -6.08 36.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.184 0.516 . . . . 0.0 110.549 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -99.89 -58.9 1.82 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.789 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.668 HG23 ' HB ' ' A' ' 8' ' ' ILE . 79.8 p -111.83 -16.52 13.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.118 0.485 . . . . 0.0 111.261 -177.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.19 1.56 69.47 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.694 -177.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.449 ' O ' ' HB3' ' A' ' 101' ' ' MET . 14.9 m -131.74 153.17 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.485 HG21 ' HE3' ' A' ' 102' ' ' MET . 77.9 t -104.27 103.3 15.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.934 0.397 . . . . 0.0 110.726 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.7 119.73 20.13 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.364 175.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -81.08 -23.45 38.47 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.562 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.01 77.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.686 0.279 . . . . 0.0 110.88 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.533 ' CZ ' ' HE3' ' A' ' 70' ' ' MET . 71.1 t80 -71.47 -50.95 26.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.518 -179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.498 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 8.6 m -54.71 -40.87 69.65 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.632 178.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.536 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 63.7 t30 -70.21 -42.0 72.92 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -53.15 -50.92 63.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.735 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.526 ' HA ' HD13 ' A' ' 119' ' ' LEU . 59.5 t -64.37 -32.73 58.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.425 -178.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.589 ' HE3' ' HA ' ' A' ' 117' ' ' MET . 27.3 mmt -72.48 -35.94 68.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.124 0.488 . . . . 0.0 109.982 -178.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 75.4 mm-40 -74.85 -37.59 62.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.863 178.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.526 HD13 ' HA ' ' A' ' 116' ' ' VAL . 12.6 mt -55.6 -53.39 57.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.85 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.16 -31.27 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.414 -174.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 117' ' ' MET . 96.0 mttt -71.0 -45.26 64.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.053 176.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.496 ' HE2' HD21 ' B' ' 119' ' ' LEU . 43.5 ttp -60.62 -43.53 97.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.98 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 86.0 mt -66.89 -29.96 69.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 110.726 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.0 t -83.15 -10.2 58.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.63 0.729 . . . . 0.0 110.076 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -97.89 19.02 14.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.252 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -96.0 111.64 23.59 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 175.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.8 p -55.57 100.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.792 0.683 . . . . 0.0 112.536 -173.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -131.57 22.69 4.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.387 0.613 . . . . 0.0 109.982 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -99.31 -179.58 4.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.279 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.88 115.48 30.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.422 0.63 . . . . 0.0 110.441 178.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 31.5 m -80.26 -25.18 11.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.653 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.6 t -173.44 126.26 0.41 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.191 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 8.4 p . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.175 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 111.936 -0.466 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -144.02 10.86 1.55 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.505 0.669 . . . . 0.0 109.959 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.32 -85.23 1.41 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.427 -177.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -130.06 143.53 50.84 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.41 ' O ' ' HD3' ' B' ' 7' ' ' PRO . 70.5 m -62.34 135.19 57.34 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 175.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -99.29 106.15 37.15 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.32 -177.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' B' ' 5' ' ' SER . 92.3 Cg_endo -86.78 179.88 3.19 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 122.837 2.358 . . . . 0.0 112.177 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.986 ' HB ' HG23 ' B' ' 105' ' ' THR . 2.6 pp -81.02 -19.43 11.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.603 0.716 . . . . 0.0 110.421 178.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 20.7 t-105 -90.11 29.82 1.17 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.673 -168.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.1 p -92.21 -8.52 45.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.225 0.536 . . . . 0.0 110.219 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.488 ' HB2' ' HB2' ' B' ' 14' ' ' ALA . 83.0 m-20 -118.35 127.84 26.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.347 178.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.29 -44.32 2.47 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.669 2.246 . . . . 0.0 113.249 -173.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.409 ' HB2' ' HE2' ' B' ' 51' ' ' MET . 28.5 t-20 -76.42 -34.56 58.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.677 0.275 . . . . 0.0 110.546 -178.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.488 ' HB2' ' HB2' ' B' ' 11' ' ' ASN . . . -64.27 -38.37 90.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.114 0.483 . . . . 0.0 109.881 174.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.56 -44.19 94.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.224 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' MET . . . . . 0.438 ' HE1' ' SD ' ' B' ' 51' ' ' MET . 39.2 ttm -59.01 -27.29 65.3 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.914 177.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.406 ' HB ' ' HB1' ' B' ' 104' ' ' ALA . 14.9 m -63.1 -40.05 96.49 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.343 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.814 ' SD ' ' HE3' ' B' ' 101' ' ' MET . 12.1 ttt -63.16 -43.51 98.08 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 175.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.22 -46.2 86.33 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.669 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.89 -42.94 80.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.95 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -64.48 -33.11 75.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.818 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 18' ' ' MET . 54.7 mt -61.81 -46.82 87.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.332 . . . . 0.0 110.577 175.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.32 -41.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.419 178.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -63.46 -40.18 96.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.978 176.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . 0.593 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 49.0 t -68.56 -39.41 81.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.938 0.399 . . . . 0.0 110.561 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.489 ' HB3' HD12 ' B' ' 32' ' ' LEU . . . -64.68 -37.34 87.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.091 0.472 . . . . 0.0 110.491 175.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 47.2 t -72.1 -30.52 65.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.831 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.593 ' HG2' ' O ' ' B' ' 25' ' ' CYS . 9.0 ptm180 -82.84 -15.32 52.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.734 0.302 . . . . 0.0 110.696 -178.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.6 p -94.86 -49.11 5.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.725 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.88 20.41 70.71 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.392 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.537 HG12 HD13 ' B' ' 32' ' ' LEU . 14.9 p -88.16 -12.88 10.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.176 0.512 . . . . 0.0 110.399 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.537 HD13 HG12 ' B' ' 31' ' ' VAL . 5.7 mp -102.9 153.61 20.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.284 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' THR . . . . . 0.413 ' O ' ' HG2' ' B' ' 37' ' ' MET . 78.6 p -87.91 167.65 13.57 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.138 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.72 -33.83 73.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.998 0.428 . . . . 0.0 110.725 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -54.73 -50.84 67.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.962 174.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.401 HE22 ' HB3' ' B' ' 81' ' ' SER . 93.8 mt-30 -71.95 -35.76 69.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.323 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' B' ' 33' ' ' THR . 95.5 mmm -66.3 -33.09 74.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.12 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -74.92 -32.5 61.8 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.407 ' HB3' HG22 ' B' ' 77' ' ' VAL . 0.8 OUTLIER -55.55 -52.6 63.17 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.205 0.526 . . . . 0.0 110.232 170.557 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.46 ' O ' ' HB3' ' B' ' 43' ' ' MET . 87.7 mtp -68.58 -33.64 74.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.956 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.11 -46.26 91.63 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.169 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.522 ' HE3' ' HA ' ' A' ' 62' ' ' ARG . 18.6 ptt? -73.76 -19.98 60.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.096 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' MET . . . . . 0.46 ' HB3' ' O ' ' B' ' 40' ' ' MET . 47.0 ttp -62.24 -48.16 81.18 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 173.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.71 -35.96 82.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.315 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.34 -38.68 92.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.383 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 33.0 t -63.42 -42.7 98.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.397 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 43' ' ' MET . 41.1 t -62.21 -39.51 84.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.356 0.598 . . . . 0.0 109.656 176.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -64.76 -46.74 80.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.992 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.614 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 11.4 p -69.41 -26.4 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.524 -177.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.582 ' O ' ' HG2' ' B' ' 54' ' ' MET . 16.0 mm100 -74.17 -24.54 59.4 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.089 -0.382 . . . . 0.0 110.901 175.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.438 ' SD ' ' HE1' ' B' ' 16' ' ' MET . 52.5 mtp -76.41 -20.58 56.96 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.138 176.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.508 ' HG2' ' HA ' ' B' ' 49' ' ' SER . 10.0 pt20 -93.92 -13.23 27.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.915 0.388 . . . . 0.0 110.458 174.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' B' ' 49' ' ' SER . 34.8 mmtp -71.25 -35.76 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 169.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' B' ' 50' ' ' GLN . 22.2 ptp -96.96 -175.49 3.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.585 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.83 -144.61 4.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.566 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -70.99 -20.49 28.99 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.186 2.591 . . . . 0.0 112.23 -178.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -130.4 79.37 72.55 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.12 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . 0.543 ' HB3' ' HB2' ' B' ' 54' ' ' MET . 91.8 Cg_endo -81.03 160.53 20.8 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.428 2.085 . . . . 0.0 113.142 -178.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -80.62 111.6 2.58 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.09 2.527 . . . . 0.0 111.302 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.94 -23.81 65.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.668 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.626 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 5.7 p80 -69.1 -25.57 64.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.103 0.478 . . . . 0.0 110.539 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' B' ' 66' ' ' MET . 95.0 mtt180 -73.51 -21.98 60.25 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.446 175.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 79.4 mt -76.84 -37.37 55.76 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.444 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 50.3 ptt85 -63.87 -35.9 82.17 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.397 -0.521 . . . . 0.0 109.671 176.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.511 ' HB1' ' OD2' ' A' ' 39' ' ' ASP . . . -68.38 -41.16 80.99 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.905 0.384 . . . . 0.0 111.034 175.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.441 ' HG3' ' O ' ' B' ' 62' ' ' ARG . 61.1 mtp -67.51 -24.87 65.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.78 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -57.57 -56.2 25.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.898 0.38 . . . . 0.0 110.161 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 12.6 m -69.14 -24.33 64.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.908 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.2 -58.56 7.82 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.986 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' MET . . . . . 0.591 ' HE1' ' SD ' ' B' ' 18' ' ' MET . 47.4 ttp -61.77 -39.82 93.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.204 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . 0.507 ' HB1' HG23 ' B' ' 116' ' ' VAL . . . -59.52 -48.08 83.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.408 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.456 ' HB3' HG23 ' A' ' 68' ' ' THR . . . -69.89 -36.97 75.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.372 -178.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.557 ' O ' HG21 ' B' ' 77' ' ' VAL . 28.5 mm-40 -59.29 -46.05 89.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.773 0.321 . . . . 0.0 110.415 177.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.14 -44.63 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 177.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.46 91.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.813 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.512 ' HG3' ' HA ' ' A' ' 65' ' ' ALA . 5.6 tm-20 -58.64 -49.26 78.18 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.99 176.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.557 HG21 ' O ' ' B' ' 73' ' ' GLU . 94.7 t -58.03 -44.36 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.267 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.3 t -70.37 -42.89 78.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.107 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.34 -39.94 85.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.426 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' THR . . . . . 0.633 HG23 ' HD2' ' A' ' 64' ' ' ARG . 22.9 m -80.41 79.88 6.94 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.544 0.687 . . . . 0.0 110.218 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.401 ' HB3' HE22 ' B' ' 36' ' ' GLN . 55.4 p -151.74 172.55 5.32 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.94 179.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.77 127.98 20.97 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.182 1.255 . . . . 0.0 109.673 169.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.92 -14.46 37.06 Favored 'Trans proline' 0 CA--C 1.526 0.117 0 C-N-CA 122.799 2.332 . . . . 0.0 112.578 -170.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -85.39 -17.29 37.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.944 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 32.2 t -117.48 3.64 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.385 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -56.07 -42.67 77.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.515 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 35.4 t -61.99 -42.23 98.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.191 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.49 -50.0 71.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.01 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.2 -42.13 94.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.384 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.29 -53.11 62.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.634 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -57.66 -37.18 72.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.514 -178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.413 ' OG1' HG11 ' B' ' 31' ' ' VAL . 87.0 m -62.89 -59.04 5.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.456 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' B' ' 93' ' ' ILE . 1.0 OUTLIER -56.85 -40.64 72.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.187 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -53.0 -46.73 60.94 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 121.209 -0.519 . . . . 0.0 112.373 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.33 -36.07 61.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.712 0.291 . . . . 0.0 110.873 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' CYS . . . . . 0.54 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 89.2 m -59.62 -37.83 79.68 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.676 ' HG ' ' HE3' ' B' ' 18' ' ' MET . 4.7 mp -58.34 -42.16 86.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.891 0.377 . . . . 0.0 110.834 178.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -65.86 -49.6 67.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.462 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.54 ' HG2' ' HA ' ' B' ' 96' ' ' CYS . 10.1 pt-20 -69.04 -32.64 72.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.224 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 67.2 m -62.52 -39.85 94.85 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.389 0.137 . . . . 0.0 110.675 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.814 ' HE3' ' SD ' ' B' ' 18' ' ' MET . 15.2 mmt -61.71 -47.34 85.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.887 178.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.517 ' HE1' HG22 ' B' ' 108' ' ' VAL . 14.2 ttm -66.76 -33.67 76.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -85.17 -3.57 58.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.918 0.389 . . . . 0.0 111.442 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.406 ' HB1' ' HB ' ' B' ' 17' ' ' THR . . . -106.59 -63.97 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.186 0.517 . . . . 0.0 111.146 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.986 HG23 ' HB ' ' B' ' 8' ' ' ILE . 75.9 p -100.14 -25.35 14.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.242 -174.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 99.96 -0.93 56.36 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' B' ' 101' ' ' MET . 39.6 m -132.73 154.15 50.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.517 HG22 ' HE1' ' B' ' 102' ' ' MET . 55.6 t -111.0 119.71 60.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.99 0.424 . . . . 0.0 111.328 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -100.96 123.52 45.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.915 173.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -91.21 -16.52 27.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.671 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.83 77.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.781 0.324 . . . . 0.0 110.888 -177.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . 0.412 ' O ' HG22 ' B' ' 116' ' ' VAL . 82.4 t80 -64.55 -54.88 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.043 177.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.487 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 13.9 m -48.78 -45.49 40.16 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.999 176.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . 0.445 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 41.6 t30 -60.7 -47.45 86.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.988 0.423 . . . . 0.0 110.916 177.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -63.41 -36.76 84.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.771 -176.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.519 ' HA ' HD13 ' B' ' 119' ' ' LEU . 64.1 t -65.8 -34.39 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 176.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.569 ' HA ' ' HE2' ' B' ' 117' ' ' MET . 26.0 mmt -68.25 -30.12 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' B' ' 114' ' ' ASN . 28.9 mm-40 -74.51 -42.64 58.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.789 177.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' B' ' 116' ' ' VAL . 7.2 mt -56.06 -48.22 76.46 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.357 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.67 -30.37 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.367 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' B' ' 117' ' ' MET . 88.6 mttt -60.81 -53.62 55.11 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.244 0.545 . . . . 0.0 110.242 174.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.499 ' HE3' ' CD2' ' A' ' 119' ' ' LEU . 36.3 ttp -58.55 -39.96 81.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.594 -176.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 79.7 mt -71.9 -5.91 38.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 111.246 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 32.4 t -120.71 14.74 11.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.116 0.484 . . . . 0.0 109.943 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -106.86 22.34 16.09 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.16 0.505 . . . . 0.0 111.411 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -86.06 128.39 34.86 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 12.1 p -55.54 96.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.191 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -109.05 27.57 9.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.752 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -59.89 110.57 1.21 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.863 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -83.0 87.38 6.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.521 0.677 . . . . 0.0 110.166 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 27.7 m -83.29 -31.69 8.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.148 -177.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 19.9 m -137.59 114.86 10.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.192 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 36.3 p . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.326 179.24 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 112.013 -0.435 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 p -148.43 99.67 3.05 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.158 0.504 . . . . 0.0 111.572 -178.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -100.84 166.0 19.08 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 174.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -132.45 125.85 31.67 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.925 0.393 . . . . 0.0 110.878 -178.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -158.79 169.62 23.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.38 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 43.5 mt-30 73.53 134.5 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.269 0 O-C-N 124.3 1.0 . . . . 0.0 112.588 176.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.481 ' HA ' ' CG ' ' A' ' 109' ' ' ASP . 15.9 Cg_exo -67.9 149.85 78.03 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.136 2.557 . . . . 0.0 112.158 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.411 HG12 ' HE1' ' A' ' 101' ' ' MET . 16.2 pt -96.5 -0.17 10.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.339 -178.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.446 ' CZ2' ' HA ' ' A' ' 67' ' ' ASN . 84.4 m95 -72.1 88.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.824 0.821 . . . . 0.0 111.748 -175.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.7 m -152.69 -44.85 0.1 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.418 176.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.431 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 92.2 m-20 -96.95 121.96 57.86 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.78 174.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 11' ' ' ASN . 17.7 Cg_exo -61.25 -43.84 26.72 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.812 2.341 . . . . 0.0 112.407 -176.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -68.81 -38.41 79.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -176.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.32 -43.93 97.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.414 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.32 82.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.65 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.4 ttm -61.68 -30.0 70.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.635 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.8 m -65.37 -35.84 82.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.159 177.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.859 ' HE2' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -65.76 -42.19 91.19 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 176.584 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.407 ' HA ' ' HE1' ' A' ' 70' ' ' MET . 1.1 m -62.3 -43.78 98.03 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.831 178.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -62.33 -54.74 36.18 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.265 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -60.13 -35.16 74.65 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.983 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.561 HD13 HD12 ' A' ' 97' ' ' LEU . 16.0 tp -61.12 -48.01 83.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.713 -179.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.5 t -63.94 -39.94 87.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.642 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -66.38 -38.56 87.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.049 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.9 t -65.65 -40.98 93.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.116 0.484 . . . . 0.0 109.976 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.58 -38.86 87.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.152 0.501 . . . . 0.0 110.828 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.5 t -62.63 -40.15 96.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.31 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -83.58 -11.86 56.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.591 -175.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.9 p -79.37 -58.35 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.567 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.54 0.56 60.88 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.767 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.862 HG22 HD11 ' A' ' 32' ' ' LEU . 5.2 m -74.04 -27.11 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.979 0.419 . . . . 0.0 110.538 177.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.862 HD11 HG22 ' A' ' 31' ' ' VAL . 5.5 mp -93.21 148.45 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.368 177.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.2 p -84.29 168.78 15.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.967 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.18 -25.81 67.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.067 0.46 . . . . 0.0 110.342 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.48 -55.81 18.31 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.691 176.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -62.24 -43.89 97.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.49 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 82.5 mmm -62.87 -38.18 89.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.72 -178.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.468 ' OD2' ' HE1' ' B' ' 61' ' ' HIS . 19.7 t70 -67.18 -38.14 84.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.798 0.332 . . . . 0.0 110.576 -178.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -64.72 -40.25 95.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.989 0.423 . . . . 0.0 110.532 176.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.551 ' O ' ' HB3' ' A' ' 43' ' ' MET . 90.7 mtp -68.7 -27.02 65.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.165 0.507 . . . . 0.0 110.175 175.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.73 -46.65 93.23 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.65 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.575 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 10.8 ptt? -73.05 -18.46 61.32 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.307 178.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.551 ' HB3' ' O ' ' A' ' 40' ' ' MET . 59.3 ttp -58.63 -56.64 19.53 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 172.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.9 90.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.56 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.575 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 26.1 t70 -61.0 -43.12 99.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.987 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.1 p -65.57 -37.98 88.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.536 0.208 . . . . 0.0 110.969 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 43' ' ' MET . 14.3 t -70.0 -40.12 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.292 0.567 . . . . 0.0 109.493 175.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -57.93 -54.78 43.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.056 -0.974 . . . . 0.0 111.604 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 p -70.93 -32.92 69.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.871 -176.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -72.45 -28.28 62.83 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.348 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -58.18 -52.99 63.27 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.424 176.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -71.66 -18.83 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.056 0.455 . . . . 0.0 110.983 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -70.76 -17.86 62.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.776 172.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.569 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 75.6 mtm -107.26 -52.05 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.37 -149.26 20.09 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.249 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.4 140.39 43.9 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.834 2.356 . . . . 0.0 112.527 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 45.42 70.19 2.14 Favored Pre-proline 0 N--CA 1.464 0.229 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.308 -177.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.569 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 24.5 Cg_exo -65.2 158.03 54.39 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 123.042 2.495 . . . . 0.0 112.743 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.02 119.23 6.21 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.764 2.31 . . . . 0.0 111.629 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -53.41 -32.32 49.09 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -175.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.783 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 34.9 p80 -64.6 -27.88 69.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.2 0.524 . . . . 0.0 111.057 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.548 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 15.0 ttm180 -72.5 -27.63 62.39 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.97 -40.41 53.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.7 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.783 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 32.5 ptt180 -61.85 -37.26 83.81 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.107 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.765 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -76.53 -37.15 57.14 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.059 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.483 ' HA ' ' HB2' ' A' ' 69' ' ' ALA . 94.9 mmm -69.03 -23.4 64.07 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 121.173 -0.211 . . . . 0.0 111.028 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.446 ' HA ' ' CZ2' ' A' ' 9' ' ' TRP . 21.4 t30 -55.19 -55.12 34.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.157 0.503 . . . . 0.0 109.895 172.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.488 HG23 ' HB2' ' B' ' 72' ' ' ALA . 28.7 m -73.37 -30.7 63.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.11 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' A' ' 66' ' ' MET . . . -61.75 -59.67 4.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.925 177.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.407 ' HE1' ' HA ' ' A' ' 19' ' ' THR . 20.1 ttt -55.32 -44.94 76.3 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.809 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.442 ' HB2' HG23 ' A' ' 116' ' ' VAL . . . -62.1 -44.14 97.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.439 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.454 ' HB3' HG22 ' B' ' 68' ' ' THR . . . -68.7 -34.74 76.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.227 -178.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 48.4 mt-10 -62.86 -40.89 98.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.432 178.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.6 t -70.19 -46.18 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.718 176.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.28 75.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.809 0.337 . . . . 0.0 110.886 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.59 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 26.6 tp10 -62.71 -48.91 77.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.513 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.82 -27.97 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.55 -177.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 94.7 t -76.86 -35.28 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.882 0.372 . . . . 0.0 110.269 177.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.04 -40.75 52.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.132 -177.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.5 m -90.74 72.98 6.68 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.627 0.727 . . . . 0.0 109.957 176.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.5 p -134.11 171.13 9.61 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 114.856 -1.065 . . . . 0.0 108.831 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -58.33 133.61 56.1 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 121.545 1.496 . . . . 0.0 110.736 173.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.63 -11.07 28.93 Favored 'Trans proline' 0 C--N 1.34 0.079 0 C-N-CA 122.469 2.113 . . . . 0.0 112.162 -173.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -97.8 -3.77 38.24 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.597 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.8 t -128.72 -0.8 5.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.687 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -50.33 -58.87 4.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.555 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.3 m -60.65 -29.66 69.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.667 -176.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.1 -47.05 60.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.82 0.343 . . . . 0.0 110.197 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.53 -42.88 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.231 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.38 -52.97 63.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.554 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.5 -37.05 84.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.837 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.4 m -63.65 -55.12 25.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.68 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -60.28 -44.76 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.886 178.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.06 -41.71 85.86 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.55 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.94 -42.77 76.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.781 0.324 . . . . 0.0 110.586 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 84.7 m -59.28 -39.64 83.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.413 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.859 ' HG ' ' HE2' ' A' ' 18' ' ' MET . 6.4 mp -56.0 -44.29 78.48 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.655 0.264 . . . . 0.0 111.443 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -60.84 -52.88 63.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.048 0.452 . . . . 0.0 110.788 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -63.15 -47.65 81.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.909 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.6 m -55.55 -37.85 68.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.536 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.476 ' HE3' ' HG3' ' A' ' 18' ' ' MET . 9.2 mmt -63.26 -44.44 95.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.975 0.416 . . . . 0.0 110.699 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.442 ' HE3' HG21 ' A' ' 108' ' ' VAL . 17.2 ttm -68.99 -30.51 68.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.052 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -79.9 -26.13 40.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.968 0.413 . . . . 0.0 110.724 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.05 -60.85 1.97 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.271 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.7 p -103.19 -41.46 6.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.256 0.551 . . . . 0.0 111.078 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 115.22 -4.66 21.95 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -174.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.0 m -126.42 137.93 53.48 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.442 HG21 ' HE3' ' A' ' 102' ' ' MET . 57.4 t -87.23 106.89 16.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.833 0.349 . . . . 0.0 110.268 179.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.481 ' CG ' ' HA ' ' A' ' 7' ' ' PRO . 8.5 t70 -76.58 124.34 27.47 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.937 173.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -90.81 -15.36 30.2 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.104 -177.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.06 -51.03 51.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.728 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -68.57 -48.59 63.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.218 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.527 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 17.8 m -55.94 -42.49 76.24 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.481 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -72.68 -37.14 67.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.71 0.29 . . . . 0.0 110.576 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.29 -46.84 87.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.644 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.442 HG23 ' HB2' ' A' ' 71' ' ' ALA . 57.3 t -61.88 -34.38 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.826 178.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.558 ' HA ' ' HE1' ' A' ' 117' ' ' MET . 30.3 mmt -70.11 -45.19 67.44 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -178.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -63.54 -38.47 91.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.968 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 32.4 mt -59.75 -50.15 74.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.991 178.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.1 p -73.74 -34.53 41.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.205 -175.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -71.6 -23.36 61.7 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.679 0.276 . . . . 0.0 110.569 177.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -80.13 -45.69 17.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.765 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 67.8 mt -69.9 -23.16 63.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.282 0.563 . . . . 0.0 110.964 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.7 m -98.06 16.54 20.82 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.884 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 127' ' ' SER . . . -89.7 32.88 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.498 0.666 . . . . 0.0 110.494 178.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -79.8 13.56 2.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.231 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.435 ' H ' ' C ' ' A' ' 125' ' ' ALA . 15.4 m -138.61 93.54 2.74 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.344 178.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -97.08 28.19 3.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.241 0.543 . . . . 0.0 110.538 -177.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -106.85 150.72 26.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.696 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 60.59 39.78 17.49 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.494 0.664 . . . . 0.0 111.163 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 31.4 m -112.76 10.08 8.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.853 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.0 m -106.5 147.8 28.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.646 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 27.6 m . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.123 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 111.792 -0.523 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -83.52 139.25 33.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.991 0.424 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.25 67.32 0.85 Allowed Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.776 178.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -68.48 131.11 44.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.169 0.509 . . . . 0.0 110.694 -178.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' B' ' 6' ' ' GLN . 14.3 m -129.25 152.15 49.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.064 -179.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' B' ' 5' ' ' SER . 84.7 mm-40 69.21 151.23 0.13 Allowed Pre-proline 0 N--CA 1.465 0.297 0 O-C-N 123.837 0.71 . . . . 0.0 111.376 -177.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -60.84 143.95 99.47 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.485 2.123 . . . . 0.0 111.911 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.483 HD11 ' HE1' ' B' ' 101' ' ' MET . 2.7 pp -75.29 0.95 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.869 -177.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -75.71 67.64 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.272 0.558 . . . . 0.0 111.639 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 85.8 m -118.06 -43.02 2.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.568 172.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -103.87 122.71 43.56 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.248 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -61.59 -40.27 48.15 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.891 2.394 . . . . 0.0 111.934 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.2 -43.07 99.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.723 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.46 89.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.723 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.2 96.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.471 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.0 ttm -65.04 -30.07 71.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.769 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 38.9 m -63.68 -39.15 93.62 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 1.03 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -63.98 -47.0 82.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.546 176.334 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.417 ' O ' HG22 ' B' ' 23' ' ' VAL . 1.5 m -58.47 -43.75 89.04 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.038 178.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -69.28 -50.48 46.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.479 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -63.15 -31.99 73.27 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.795 0.331 . . . . 0.0 110.641 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.576 HD13 HD12 ' B' ' 97' ' ' LEU . 19.0 tp -60.16 -46.0 91.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.916 177.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.417 HG22 ' O ' ' B' ' 19' ' ' THR . 91.0 t -63.94 -41.51 92.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.743 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -62.01 -44.45 96.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.36 . . . . 0.0 110.784 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 33.7 t -66.12 -42.61 88.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.044 0.449 . . . . 0.0 110.552 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.72 -35.29 79.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.234 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 47.4 t -70.53 -17.58 62.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.318 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -111.09 13.53 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.717 0.294 . . . . 0.0 110.916 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.478 ' HB2' HG23 ' B' ' 92' ' ' THR . 91.1 p -73.42 -42.69 61.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.743 -174.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.12 12.59 83.87 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -171.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.52 ' HB ' HD11 ' B' ' 32' ' ' LEU . 4.9 t -111.23 -44.04 5.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.036 0.446 . . . . 0.0 110.274 -178.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.52 HD11 ' HB ' ' B' ' 31' ' ' VAL . 6.4 mp -88.36 151.19 22.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.085 -175.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 65.6 p -94.27 168.68 10.75 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.259 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.23 -27.72 69.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.098 0.475 . . . . 0.0 110.355 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -58.93 -59.25 5.76 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.745 175.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.502 ' HB3' ' HB ' ' B' ' 77' ' ' VAL . 37.6 mt-30 -63.18 -39.42 94.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.711 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 76.5 mmm -68.49 -35.54 77.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.968 -177.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -72.13 -28.79 63.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.977 0.418 . . . . 0.0 109.943 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.721 ' O ' ' HG2' ' B' ' 42' ' ' MET . 70.3 m-20 -67.57 -41.27 84.44 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.214 0.531 . . . . 0.0 110.552 171.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.559 ' O ' ' HB3' ' B' ' 43' ' ' MET . 85.4 mtp -71.61 -31.92 67.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.175 0.512 . . . . 0.0 110.732 177.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.19 -43.72 96.68 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.645 175.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.721 ' HG2' ' O ' ' B' ' 39' ' ' ASP . 16.8 ptt? -66.39 -28.18 68.44 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' MET . . . . . 0.559 ' HB3' ' O ' ' B' ' 40' ' ' MET . 54.6 ttp -57.42 -50.76 71.96 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.27 175.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.91 98.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.355 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -75.61 -31.71 60.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.933 -175.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.6 p -68.44 -41.04 80.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.691 0.281 . . . . 0.0 110.938 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 43' ' ' MET . 43.1 t -61.58 -41.33 89.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.469 0.652 . . . . 0.0 109.522 173.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -63.39 -48.76 76.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.268 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.515 ' HA ' ' HG2' ' B' ' 52' ' ' GLN . 11.1 p -67.42 -33.02 74.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.671 -176.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.562 ' HG3' ' HE2' ' B' ' 54' ' ' MET . 8.9 tp-100 -62.65 -41.43 99.04 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 81.4 mmm -62.75 -45.75 91.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.648 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.515 ' HG2' ' HA ' ' B' ' 49' ' ' SER . 12.7 pt20 -72.46 -22.01 61.14 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.15 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -69.59 -42.97 73.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.498 172.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' MET . . . . . 0.562 ' HE2' ' HG3' ' B' ' 50' ' ' GLN . 69.5 mtm -79.21 -56.79 4.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.126 -178.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.56 -152.18 16.97 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.878 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.31 130.64 17.75 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.612 2.208 . . . . 0.0 112.256 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 63.78 88.68 0.11 Allowed Pre-proline 0 N--CA 1.466 0.355 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.805 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -87.44 162.28 8.17 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.87 2.38 . . . . 0.0 112.584 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.513 ' HG2' ' HB2' ' B' ' 62' ' ' ARG . 36.9 Cg_endo -66.66 148.39 83.06 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.823 2.349 . . . . 0.0 111.728 178.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -69.8 -34.83 74.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.982 0.42 . . . . 0.0 111.204 -174.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.713 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 19.6 p80 -65.07 -19.89 66.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.999 0.428 . . . . 0.0 111.213 178.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.53 ' O ' ' HG2' ' B' ' 66' ' ' MET . 0.1 OUTLIER -63.9 -45.65 88.37 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 175.153 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' B' ' 63' ' ' LEU . 3.6 mm? -64.9 -41.46 95.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.96 -179.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.713 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 30.5 ptt180 -59.22 -36.61 75.73 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.724 0.297 . . . . 0.0 110.631 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.59 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -82.14 -40.17 22.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.507 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.53 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 93.8 mmm -62.15 -32.84 73.49 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.579 0.228 . . . . 0.0 111.069 -179.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -53.0 -54.46 34.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.645 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.454 HG22 ' HB3' ' A' ' 72' ' ' ALA . 4.5 m -69.03 -34.69 75.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.213 -177.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -62.86 -56.51 16.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.941 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' MET . . . . . 0.412 ' HE1' ' HA ' ' B' ' 19' ' ' THR . 21.7 ttt -54.96 -46.02 75.0 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.874 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.77 -42.86 94.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.507 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.488 ' HB2' HG23 ' A' ' 68' ' ' THR . . . -66.7 -35.21 79.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.246 -178.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 45.6 mt-10 -62.99 -41.28 99.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.31 . . . . 0.0 110.673 178.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.472 ' O ' HG22 ' B' ' 78' ' ' VAL . 73.7 t -68.86 -44.83 81.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.598 176.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.74 -36.97 75.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.806 0.336 . . . . 0.0 110.836 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.765 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 31.0 tp10 -59.9 -49.58 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.333 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.502 ' HB ' ' HB3' ' B' ' 36' ' ' GLN . 34.0 m -72.55 -25.14 22.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -175.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.472 HG22 ' O ' ' B' ' 74' ' ' VAL . 64.3 t -79.64 -34.94 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.069 0.462 . . . . 0.0 110.252 177.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.64 -46.01 20.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.173 -176.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 30.6 m -83.95 77.2 9.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.738 0.78 . . . . 0.0 109.95 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.0 p -147.67 173.02 4.53 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.689 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.69 133.09 43.34 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.561 1.507 . . . . 0.0 110.503 172.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.37 -12.99 37.96 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.436 2.091 . . . . 0.0 111.734 -174.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -86.14 -13.96 45.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.512 178.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 74.8 m -122.7 5.53 9.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.82 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -54.97 -59.39 4.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.161 0.505 . . . . 0.0 110.771 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 68.6 m -63.9 -25.43 68.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.119 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.88 -52.43 29.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.79 0.329 . . . . 0.0 110.229 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.442 HG11 HG23 ' B' ' 78' ' ' VAL . 59.0 t -61.79 -44.41 98.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.024 177.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.19 -52.25 66.09 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.875 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -61.74 -40.0 93.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.832 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.478 HG23 ' HB2' ' B' ' 29' ' ' SER . 60.8 m -64.34 -52.09 60.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.471 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . 0.496 HD11 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -59.64 -47.61 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.783 178.493 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.61 -42.52 84.74 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.447 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.34 -44.99 74.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.645 0.26 . . . . 0.0 111.0 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 93.1 m -60.78 -36.35 78.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.181 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 1.03 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 3.5 mp -57.14 -50.55 72.45 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.031 0.443 . . . . 0.0 110.984 176.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -56.56 -44.69 81.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.288 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -76.01 -37.99 57.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.303 -176.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 59.5 m -59.52 -39.5 84.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.572 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.483 ' HE1' HD11 ' B' ' 8' ' ' ILE . 10.8 mmt -63.52 -43.91 95.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 39.9 ttm -67.89 -30.94 70.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.206 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -80.03 -21.21 43.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.879 0.371 . . . . 0.0 110.969 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.67 -49.31 6.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.261 -178.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.405 HG21 ' HB ' ' B' ' 8' ' ' ILE . 66.5 p -107.37 -53.43 2.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.141 0.496 . . . . 0.0 111.106 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 137.0 -10.73 3.9 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.436 -176.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 48.7 m -137.83 176.61 8.55 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 59.4 t -98.71 112.85 31.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.862 0.363 . . . . 0.0 111.531 -176.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -77.94 115.08 17.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.554 173.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.89 -19.39 25.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.7 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.71 -50.86 65.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.881 0.372 . . . . 0.0 110.717 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -71.1 -47.11 60.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.351 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.557 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 18.8 m -57.38 -41.48 80.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.832 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -70.81 -38.77 73.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.356 . . . . 0.0 110.325 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -56.67 -45.62 81.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.594 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.445 HG21 HD23 ' B' ' 97' ' ' LEU . 60.4 t -62.61 -36.58 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.533 ' HA ' ' HE3' ' B' ' 117' ' ' MET . 26.5 mmt -66.03 -46.33 78.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.067 0.46 . . . . 0.0 109.799 -178.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -64.93 -40.13 94.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.561 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.51 -50.24 73.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.394 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 12.8 p -68.84 -32.97 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.284 -175.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' B' ' 117' ' ' MET . 28.5 mtpp -70.39 -39.46 74.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 110.718 178.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.446 ' HE2' ' HB3' ' B' ' 122' ' ' MET . 11.9 tmm? -70.62 -33.35 70.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.649 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.405 ' O ' HD23 ' B' ' 123' ' ' LEU . 0.9 OUTLIER -76.82 -10.54 59.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.654 0.74 . . . . 0.0 109.623 177.615 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 49.6 m -116.31 27.91 8.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.861 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.434 ' C ' ' H ' ' B' ' 127' ' ' SER . . . -84.82 50.31 1.89 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.26 -172.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -87.41 18.44 3.83 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 169.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' SER . . . . . 0.434 ' H ' ' C ' ' B' ' 125' ' ' ALA . 5.6 m -77.47 76.72 4.01 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.782 -173.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -98.96 15.08 26.83 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 171.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -63.13 157.79 21.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.365 -1.289 . . . . 0.0 110.887 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.32 98.85 0.36 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.524 -175.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 27.6 m -102.56 5.93 10.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.887 172.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.31 145.09 56.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.386 -1.279 . . . . 0.0 112.271 -176.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 9.7 m . . . . . 0 C--O 1.248 1.012 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.999 177.188 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.993 0 N-CA-C 111.925 -0.47 . . . . 0.0 111.925 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 m -67.63 132.34 47.33 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 178.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.26 -40.09 2.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.865 -178.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -62.71 -36.1 81.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.301 0.572 . . . . 0.0 110.098 178.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -155.89 174.83 14.75 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 174.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -123.81 99.0 39.02 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.109 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.03 169.73 21.52 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.521 2.148 . . . . 0.0 111.283 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.544 HG12 ' HE2' ' A' ' 101' ' ' MET . 10.3 pt -82.47 14.91 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.057 0.456 . . . . 0.0 111.481 -177.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -85.93 31.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.366 -177.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.1 p -73.03 -39.12 66.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.387 0.613 . . . . 0.0 109.588 174.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -122.54 137.51 27.91 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.58 174.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.726 ' HG3' ' HG3' ' A' ' 58' ' ' PRO . 31.4 Cg_endo -65.69 -33.38 44.87 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.66 2.24 . . . . 0.0 112.401 -175.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -74.41 -34.42 63.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.576 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.59 -46.33 86.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.226 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.81 -39.33 80.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.781 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.2 ttm -61.0 -29.98 70.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.613 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.0 m -63.14 -40.66 98.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.198 176.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.984 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -63.76 -41.89 97.9 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.234 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.506 ' HA ' ' HE2' ' A' ' 70' ' ' MET . 1.3 m -60.87 -44.46 97.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.859 178.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -68.66 -50.37 51.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.635 -178.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -58.55 -35.53 72.48 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.778 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.492 HD11 HD13 ' A' ' 97' ' ' LEU . 15.1 tp -58.24 -44.85 88.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.433 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.97 -43.3 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.995 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -62.43 -40.81 97.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.265 0.555 . . . . 0.0 110.311 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.534 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -68.51 -35.62 77.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.325 179.62 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.64 -34.62 74.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.255 0.55 . . . . 0.0 110.898 174.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.9 t -70.8 -36.04 72.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.071 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.534 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 16.0 ptm180 -85.08 -1.13 56.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.342 -178.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 p -99.23 -47.0 5.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.023 0.44 . . . . 0.0 109.828 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.78 16.96 71.56 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.143 173.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.492 HG23 ' OG1' ' A' ' 92' ' ' THR . 20.7 t -76.8 -28.0 17.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.397 0.617 . . . . 0.0 110.323 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.435 ' HB3' ' HB2' ' A' ' 36' ' ' GLN . 5.5 mp -90.8 155.99 18.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.078 -174.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.3 p -92.5 178.18 5.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.705 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 -41.83 92.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.077 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.57 ' HB3' HH22 ' B' ' 64' ' ' ARG . 6.3 m-20 -57.32 -51.81 67.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.056 0.455 . . . . 0.0 110.55 177.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.435 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 21.5 mt-30 -65.3 -42.66 92.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.188 -175.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 91.5 mmm -67.45 -37.07 82.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -71.57 -27.14 62.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.21 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.23 -48.87 63.99 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.197 173.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.0 mtp -64.28 -35.28 80.32 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.995 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.19 -42.96 99.73 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.552 175.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.447 ' HE1' ' HB3' ' A' ' 42' ' ' MET . 8.9 tmm? -64.77 -36.41 84.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.607 0.241 . . . . 0.0 110.463 177.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.404 ' O ' HG22 ' A' ' 47' ' ' VAL . 49.8 ttp -55.82 -46.73 78.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.748 177.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.38 93.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.775 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.9 -37.87 87.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.412 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.4 t -56.2 -48.25 76.78 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.512 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.523 ' HA ' ' HE2' ' A' ' 66' ' ' MET . 17.7 t -61.88 -37.81 79.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.097 0.475 . . . . 0.0 110.475 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -70.06 -32.76 71.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.568 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.461 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 67.1 m -59.21 -39.91 84.13 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -170.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.686 ' O ' ' HE1' ' A' ' 54' ' ' MET . 26.6 mt-30 -87.52 -17.22 32.57 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.749 -178.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 87.2 mmm -76.85 -35.48 57.46 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.092 172.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -78.79 -16.85 56.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.88 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 49' ' ' SER . 57.2 mttm -60.09 -37.09 78.91 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.761 0.791 . . . . 0.0 110.001 169.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.686 ' HE1' ' O ' ' A' ' 50' ' ' GLN . 22.5 ptp -116.5 -165.27 1.04 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.153 -168.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -136.19 -95.88 0.46 Allowed Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.867 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -85.6 125.95 2.95 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 123.133 2.555 . . . . 0.0 113.576 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 67.66 97.5 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.431 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.294 172.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.726 ' HG3' ' HG3' ' A' ' 12' ' ' PRO . 93.4 Cg_endo -80.45 160.95 22.55 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.5 2.133 . . . . 0.0 112.426 176.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.437 ' HD2' ' HE3' ' A' ' 54' ' ' MET . 21.8 Cg_endo -63.16 122.64 10.93 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.816 2.344 . . . . 0.0 111.505 174.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -64.34 -35.54 81.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.298 0.571 . . . . 0.0 110.577 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.629 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 21.3 p80 -65.49 -25.54 67.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.373 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.435 ' O ' ' HG3' ' A' ' 66' ' ' MET . 26.5 ttp180 -70.19 -33.62 71.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.45 -46.32 80.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.533 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 18.8 ptt180 -62.84 -35.68 80.75 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.713 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.714 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -74.49 -43.24 56.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.592 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.523 ' HE2' ' HA ' ' A' ' 47' ' ' VAL . 80.3 mtp -76.61 -14.52 59.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.128 -177.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -53.98 -63.37 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.851 175.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.46 HG21 HD12 ' B' ' 123' ' ' LEU . 84.2 m -66.66 -25.42 66.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.139 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -62.06 -49.72 74.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.596 0.236 . . . . 0.0 110.744 177.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.506 ' HE2' ' HA ' ' A' ' 19' ' ' THR . 18.2 ttt -58.61 -46.01 87.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.358 177.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.424 ' HB2' HG13 ' A' ' 116' ' ' VAL . . . -62.82 -43.59 98.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.475 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.501 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -62.86 -41.1 99.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.34 -178.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.558 ' O ' HG22 ' A' ' 77' ' ' VAL . 44.7 mt-10 -62.74 -42.44 99.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.222 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.35 -47.62 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.89 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.45 89.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.702 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.75 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 35.7 tp10 -58.25 -49.48 76.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.308 176.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 73' ' ' GLU . 94.3 t -55.04 -47.82 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.028 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.3 t -67.38 -41.59 86.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.295 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.65 -14.81 61.23 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.454 HG22 ' HD2' ' B' ' 64' ' ' ARG . 3.0 m -106.06 19.22 20.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.343 0.592 . . . . 0.0 110.695 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.6 p -84.87 169.17 17.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.07 139.09 71.14 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.821 1.68 . . . . 0.0 110.51 176.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -55.32 -32.04 79.51 Favored 'Trans proline' 0 CA--C 1.519 -0.266 0 C-N-CA 122.561 2.174 . . . . 0.0 111.793 -174.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -81.87 -4.8 57.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.561 -176.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.6 m -128.42 0.93 5.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.936 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -57.61 -47.28 82.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.851 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.2 t -63.17 -34.74 78.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.711 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.33 -51.3 31.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.727 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.86 -43.31 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.38 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.16 -51.51 69.05 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.085 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -57.53 -40.24 78.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.065 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.492 ' OG1' HG23 ' A' ' 31' ' ' VAL . 44.4 m -65.71 -50.85 63.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.351 -177.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.1 mm -64.94 -46.68 90.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.01 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.31 -43.25 89.65 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.545 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.4 -12.66 58.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.943 0.401 . . . . 0.0 111.088 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.484 ' SG ' HD13 ' A' ' 22' ' ' LEU . 50.7 t -84.5 -36.44 22.22 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.601 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.984 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 7.7 mp -59.54 -39.79 85.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.859 0.361 . . . . 0.0 111.092 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -57.99 -45.44 86.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.477 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -69.83 -50.17 45.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.057 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.1 m -54.39 -40.74 68.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.586 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.544 ' HE2' HG12 ' A' ' 8' ' ' ILE . 13.2 mmt -64.41 -43.25 94.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.921 0.391 . . . . 0.0 111.027 177.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 17.4 ttm -70.32 -26.22 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.422 -177.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -84.89 -31.74 23.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.925 0.393 . . . . 0.0 110.871 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.13 -60.21 2.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.378 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.405 HG21 ' CG2' ' A' ' 8' ' ' ILE . 73.1 p -103.31 -33.62 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.976 0.417 . . . . 0.0 111.316 -175.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 114.64 -10.85 21.38 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -176.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.1 m -132.47 149.12 52.39 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.482 ' HA ' ' HB3' ' A' ' 101' ' ' MET . 4.2 p -96.95 114.7 34.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.277 0.56 . . . . 0.0 110.948 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -78.3 134.56 37.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.965 173.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -97.1 -14.95 21.22 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.369 -177.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.3 -53.34 37.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.76 0.314 . . . . 0.0 110.46 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.403 ' CE1' ' HB1' ' A' ' 71' ' ' ALA . 74.1 t80 -68.37 -47.93 66.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.263 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.508 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 17.9 m -56.42 -37.95 70.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.162 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.484 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 63.8 t30 -77.56 -34.06 53.87 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.426 178.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -56.98 -47.85 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.951 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.512 ' HA ' HD11 ' A' ' 119' ' ' LEU . 15.0 m -64.19 -30.54 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.715 0.293 . . . . 0.0 110.978 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.55 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 27.7 mmt -70.81 -40.97 72.19 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -178.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 25.0 mm-40 -68.02 -42.16 81.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.816 177.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.512 HD11 ' HA ' ' A' ' 116' ' ' VAL . 19.2 mt -57.39 -51.65 68.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.336 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.82 -28.65 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.3 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 125' ' ' ALA . 98.0 mttt -76.57 -13.94 60.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.064 0.459 . . . . 0.0 110.569 176.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.48 ' HE3' HD22 ' B' ' 119' ' ' LEU . 47.6 ttp -93.59 -44.61 8.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.417 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.49 -33.12 72.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.484 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.8 t -98.53 17.67 18.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.057 -175.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 121' ' ' LYS . . . -89.53 30.04 1.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -172.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -78.57 117.71 20.0 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.817 176.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.6 m -83.99 84.17 7.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.078 0.466 . . . . 0.0 110.56 -178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.31 29.91 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.68 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -80.2 103.01 9.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.222 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -107.06 99.42 8.98 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.5 m -81.06 -11.93 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.919 0.39 . . . . 0.0 110.921 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.8 p -128.59 141.01 51.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.519 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 120.851 0.358 . . . . 0.0 110.676 178.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -151.05 118.25 5.95 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 127.09 -60.32 0.66 Allowed Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -175.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -82.22 -9.91 59.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.345 0.593 . . . . 0.0 109.82 174.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 34.8 m -141.5 156.79 45.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.15 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -116.96 90.48 32.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 123.172 0.295 . . . . 0.0 111.188 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -91.88 -177.06 0.87 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.679 2.253 . . . . 0.0 111.814 175.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.494 HG12 ' HE2' ' B' ' 101' ' ' MET . 8.7 pt -89.36 3.31 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.961 0.41 . . . . 0.0 110.872 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -80.07 54.63 1.96 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.233 0.539 . . . . 0.0 111.638 -175.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.6 p -107.36 -17.83 14.03 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.493 0.663 . . . . 0.0 109.863 174.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.442 ' HA ' ' HD3' ' B' ' 12' ' ' PRO . 46.9 m-80 -135.93 132.07 19.22 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.99 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . 0.7 ' HG3' HH22 ' B' ' 62' ' ' ARG . 20.3 Cg_exo -61.12 -46.45 15.55 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.78 2.32 . . . . 0.0 112.409 -176.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -68.97 -40.15 79.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.707 -175.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -45.91 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.922 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.33 84.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' MET . . . . . 0.619 ' HE3' ' SD ' ' B' ' 51' ' ' MET . 47.9 ttm -64.17 -25.98 68.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.784 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 46.1 m -65.42 -34.76 79.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.034 0.445 . . . . 0.0 110.197 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 0.99 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -65.77 -43.79 87.76 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 176.666 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.429 HG23 ' HE2' ' B' ' 43' ' ' MET . 0.2 OUTLIER -60.12 -41.49 92.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.727 178.761 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -65.33 -51.74 58.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.529 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.21 -31.28 70.01 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.092 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.585 HD13 HD12 ' B' ' 97' ' ' LEU . 12.1 tp -63.94 -45.95 86.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.969 0.414 . . . . 0.0 110.54 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 66.1 t -64.7 -38.87 83.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.702 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -61.18 -41.31 96.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.796 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -50.21 74.9 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.944 0.402 . . . . 0.0 110.915 174.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.497 ' HB1' HD11 ' B' ' 32' ' ' LEU . . . -62.36 -38.99 91.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.344 -176.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 37.1 t -68.58 -40.6 80.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.032 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -76.25 -29.86 57.67 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.147 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 36.2 p -73.78 -51.91 14.87 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.884 0.373 . . . . 0.0 110.53 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.38 14.21 81.76 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.388 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.0 p -83.22 -12.49 12.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.517 0.675 . . . . 0.0 110.102 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.497 HD11 ' HB1' ' B' ' 26' ' ' ALA . 5.6 mp -97.18 152.21 19.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.492 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 42.9 p -86.18 175.59 8.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.216 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.54 83.56 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.808 0.337 . . . . 0.0 110.391 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.507 ' HB3' HH22 ' A' ' 64' ' ' ARG . 2.3 m-20 -51.44 -61.89 1.96 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.633 0.73 . . . . 0.0 110.222 172.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.461 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 23.3 mt-30 -62.42 -39.67 94.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.753 -172.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 77.7 mmm -65.64 -40.98 93.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.477 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -75.84 -30.37 58.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.443 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.3 -47.13 80.64 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.921 0.391 . . . . 0.0 110.388 174.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.429 ' O ' ' HB3' ' B' ' 43' ' ' MET . 89.4 mtp -67.96 -36.05 79.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 179.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.96 -43.17 97.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.353 175.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.462 ' HE1' ' HB3' ' B' ' 42' ' ' MET . 9.5 tmm? -59.88 -42.89 94.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.742 0.306 . . . . 0.0 110.267 175.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' MET . . . . . 0.438 ' O ' HG23 ' B' ' 47' ' ' VAL . 47.8 ttp -50.69 -47.42 58.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.113 177.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.22 88.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.389 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -70.19 -34.1 72.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.044 0.449 . . . . 0.0 110.715 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -61.85 -48.79 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.223 175.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.504 HG13 ' HE2' ' B' ' 16' ' ' MET . 75.7 t -58.5 -36.4 59.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.584 178.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.471 ' O ' ' HG2' ' B' ' 52' ' ' GLN . 9.1 m-80 -63.19 -40.91 98.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.533 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 72.2 m -59.97 -36.14 76.48 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.869 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -88.09 27.0 1.26 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.59 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.619 ' SD ' ' HE3' ' B' ' 16' ' ' MET . 8.8 ptm -129.42 -32.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 167.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' B' ' 48' ' ' ASN . 3.7 pt20 -79.45 -24.97 42.07 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.005 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -68.48 -19.27 64.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.11 175.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' MET . . . . . 0.487 ' SD ' ' HD2' ' B' ' 59' ' ' PRO . 66.5 mtm -122.65 -176.7 3.45 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.864 -177.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.17 -129.91 3.36 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.129 -1.034 . . . . 0.0 113.323 -175.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -85.15 12.06 3.19 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 123.302 2.668 . . . . 0.0 113.531 -172.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -156.34 80.67 3.74 Favored Pre-proline 0 C--N 1.316 -0.848 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.044 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -90.2 154.45 4.67 Favored 'Trans proline' 0 N--CA 1.449 -1.096 0 C-N-CA 122.926 2.417 . . . . 0.0 112.627 174.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.487 ' HD2' ' SD ' ' B' ' 54' ' ' MET . 28.1 Cg_endo -63.1 138.26 66.28 Favored 'Trans proline' 0 C--O 1.238 0.507 0 C-N-CA 123.408 2.739 . . . . 0.0 112.933 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -76.21 -37.33 57.92 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.704 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.833 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 25.2 p80 -60.73 -31.62 70.92 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 121.436 0.636 . . . . 0.0 109.819 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.7 HH22 ' HG3' ' B' ' 12' ' ' PRO . 2.5 ttp180 -59.95 -37.53 79.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.112 176.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.3 mt -68.58 -39.4 80.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.888 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.833 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 32.8 ptt180 -62.93 -33.71 75.92 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.179 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . 0.75 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -80.33 -36.4 34.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.863 0.363 . . . . 0.0 111.231 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.516 ' HG3' ' O ' ' B' ' 62' ' ' ARG . 84.6 mtp -70.04 -22.86 63.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.677 178.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -52.53 -54.75 28.46 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.363 172.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.501 HG22 ' HB1' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -66.71 -34.61 78.22 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.886 -179.4 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -62.35 -53.96 47.34 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.438 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' MET . . . . . 0.411 ' HE3' ' HA ' ' B' ' 19' ' ' THR . 21.6 ttt -59.81 -44.27 94.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.017 0.437 . . . . 0.0 110.512 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.77 -46.15 83.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.498 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.54 -38.43 89.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.406 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.54 ' O ' HG23 ' B' ' 77' ' ' VAL . 42.6 mt-10 -62.44 -46.62 87.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.6 179.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 38.8 t -59.72 -45.42 94.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.831 0.348 . . . . 0.0 110.993 177.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.38 99.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.591 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.714 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 13.0 tp10 -59.58 -39.71 85.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.887 175.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 73' ' ' GLU . 42.9 t -60.09 -48.41 88.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.875 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.455 HG11 HD12 ' B' ' 90' ' ' LEU . 22.5 t -71.94 -33.92 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 -177.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.38 5.89 16.12 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' THR . . . . . 0.413 ' O ' HG21 ' B' ' 80' ' ' THR . 14.9 m -113.44 15.66 19.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.848 0.832 . . . . 0.0 109.779 176.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 87.8 p -92.5 158.53 38.39 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.735 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.23 150.7 87.86 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.23 1.953 . . . . 0.0 111.078 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -55.48 -35.94 93.24 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.615 2.21 . . . . 0.0 111.481 -176.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -74.98 -11.78 60.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.032 -0.986 . . . . 0.0 111.996 -177.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 14.6 m -117.79 -9.89 10.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.7 0.286 . . . . 0.0 110.923 -177.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -54.13 -50.18 67.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.617 -175.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 35.4 t -61.69 -44.35 97.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.817 0.342 . . . . 0.0 110.9 -177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.66 75.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.166 -178.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 73.9 t -64.72 -45.25 95.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.633 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.738 HD13 HG13 ' B' ' 120' ' ' VAL . 13.5 tp -58.3 -49.81 75.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.687 -178.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -60.3 -38.77 84.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.027 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 55.6 m -66.73 -50.75 61.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.776 -177.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' B' ' 93' ' ' ILE . 1.1 mm -62.07 -49.11 85.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.753 178.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.24 -42.51 88.46 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.695 -177.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.44 -38.68 68.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.838 0.351 . . . . 0.0 111.04 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 22.8 m -70.03 -27.89 65.04 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.99 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 4.7 mp -59.36 -37.13 77.1 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.464 176.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . 0.467 ' HA ' HG21 ' B' ' 108' ' ' VAL . 73.1 ttt-85 -63.89 -48.39 76.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.176 176.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -67.35 -49.66 63.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.196 -177.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 66.8 m -54.07 -42.81 69.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.247 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.494 ' HE2' HG12 ' B' ' 8' ' ' ILE . 13.7 mmt -62.77 -45.98 90.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.037 0.446 . . . . 0.0 110.77 177.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 31.6 ttm -70.33 -23.6 62.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.472 -176.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -91.1 -8.93 47.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.939 0.4 . . . . 0.0 110.85 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.37 -55.9 2.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.339 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 70.0 p -105.5 -8.75 17.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.125 0.488 . . . . 0.0 110.892 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.17 5.03 86.09 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.577 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 12.5 p -149.11 144.27 26.54 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.477 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 2.5 p -89.81 114.11 27.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.053 0.454 . . . . 0.0 110.997 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.89 133.08 43.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.765 172.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -92.59 -22.22 19.62 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.798 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.81 -50.29 67.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.698 0.285 . . . . 0.0 110.764 -177.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -71.71 -46.53 58.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.531 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.503 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 13.8 m -59.39 -39.39 83.23 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.823 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -72.27 -39.33 68.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.763 0.316 . . . . 0.0 110.477 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . 0.42 ' OE1' ' HA ' ' B' ' 68' ' ' THR . 34.0 tt0 -54.05 -51.37 64.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.407 -175.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.473 ' HA ' HD11 ' B' ' 119' ' ' LEU . 17.6 m -64.67 -31.33 53.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 111.48 0.178 . . . . 0.0 111.48 -176.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.559 ' HA ' ' HE2' ' B' ' 117' ' ' MET . 28.2 mmt -71.43 -29.24 64.66 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.935 0.398 . . . . 0.0 110.287 -177.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -83.15 -41.07 18.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.838 175.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . 0.48 HD22 ' HE3' ' A' ' 122' ' ' MET . 22.5 mt -55.23 -53.9 50.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.345 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . 0.738 HG13 HD13 ' B' ' 90' ' ' LEU . 12.3 p -63.74 -40.71 90.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.831 -172.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.99 -33.84 70.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.846 0.355 . . . . 0.0 110.608 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' MET . . . . . 0.467 ' HE2' HD22 ' A' ' 119' ' ' LEU . 40.5 ttp -66.02 -37.59 86.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.016 175.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . 0.46 HD12 HG21 ' A' ' 68' ' ' THR . 88.0 mt -82.45 3.16 29.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.763 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 46.3 m -120.94 15.35 11.65 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.171 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -84.79 20.93 1.67 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.405 0.621 . . . . 0.0 111.542 -174.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -111.82 102.22 10.5 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.602 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 18.1 m -116.79 157.49 25.47 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.86 35.83 1.04 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.697 0.284 . . . . 0.0 110.937 -174.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -61.05 97.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.242 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -117.61 118.19 31.44 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 30.4 m -87.69 -20.21 7.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.47 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 15.7 m -134.15 137.21 44.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.022 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.133 -0.937 . . . . 0.0 109.222 175.928 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.674 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -91.71 115.97 28.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.889 0.376 . . . . 0.0 110.365 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.21 77.55 1.35 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.558 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -172.13 -56.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.052 0.453 . . . . 0.0 110.191 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -104.76 147.11 28.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.446 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -120.07 82.12 29.01 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 173.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -91.92 113.15 0.33 Allowed 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 123.207 2.605 . . . . 0.0 112.642 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.969 ' HB ' HG23 ' A' ' 105' ' ' THR . 2.6 pp -80.39 -10.17 12.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 67' ' ' ASN . 76.1 m95 -81.32 26.21 0.46 Allowed 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.54 -178.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -82.18 -8.99 59.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.427 0.632 . . . . 0.0 109.757 175.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -134.27 119.6 14.45 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.867 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -68.91 -35.09 16.13 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.863 2.375 . . . . 0.0 112.883 -173.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -79.57 -31.92 41.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.99 0.424 . . . . 0.0 110.375 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.8 81.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.108 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.38 90.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.593 177.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 50.1 ttm -61.16 -32.1 71.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.661 177.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.7 m -64.82 -35.93 82.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.348 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.504 ' HE3' ' HE3' ' A' ' 101' ' ' MET . 0.1 OUTLIER -66.01 -42.03 90.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 177.611 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.456 ' HA ' ' HE3' ' A' ' 70' ' ' MET . 0.5 OUTLIER -62.24 -42.8 99.64 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.499 177.23 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -65.82 -44.01 86.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.286 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -63.59 -36.09 82.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.378 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.617 HD22 HD13 ' A' ' 97' ' ' LEU . 32.6 mt -59.92 -44.56 94.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.726 0.298 . . . . 0.0 111.036 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.5 t -65.55 -36.6 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.96 0.41 . . . . 0.0 110.498 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 43.1 mt-30 -65.21 -52.62 53.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.762 177.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.513 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 31.6 p -66.92 -34.31 77.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.637 0.256 . . . . 0.0 111.081 -176.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.83 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.916 0.388 . . . . 0.0 111.141 177.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.8 t -69.09 -26.0 64.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.18 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.513 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 13.0 ptm85 -96.85 -2.31 44.27 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.613 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.5 p -97.48 -45.81 6.29 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.45 28.69 65.22 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.745 -0.662 . . . . 0.0 112.987 174.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.7 t -87.14 -26.71 5.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.742 0.782 . . . . 0.0 109.323 175.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.486 ' HG ' HG13 ' A' ' 89' ' ' VAL . 5.3 mp -86.62 156.48 20.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.268 -177.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.463 ' H ' ' NE2' ' A' ' 36' ' ' GLN . 49.9 p -91.11 174.46 7.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.646 -178.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.65 91.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.703 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.79 -50.26 72.86 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.401 0.62 . . . . 0.0 109.819 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.463 ' NE2' ' H ' ' A' ' 33' ' ' THR . 48.9 mt-30 -63.79 -44.29 93.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.611 -177.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 82.1 mmm -64.07 -41.66 97.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.589 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.511 ' OD2' ' HD3' ' B' ' 62' ' ' ARG . 35.5 t70 -68.32 -34.4 76.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 110.763 -178.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -64.26 -48.5 75.51 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.025 0.44 . . . . 0.0 110.231 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.491 ' HG3' HG21 ' A' ' 77' ' ' VAL . 89.1 mtp -65.44 -29.77 70.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.667 177.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.06 -48.57 85.41 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.99 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -73.35 -20.13 60.84 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.114 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.461 ' SD ' HG22 ' A' ' 74' ' ' VAL . 47.1 ttp -61.85 -50.72 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.952 0.406 . . . . 0.0 110.132 175.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.51 94.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.425 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.9 -32.15 72.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.504 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.7 t -60.84 -47.47 86.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.453 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.426 HG21 ' O ' ' A' ' 43' ' ' MET . 14.7 t -61.97 -36.06 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.983 0.42 . . . . 0.0 110.192 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.679 ' O ' ' HG3' ' A' ' 51' ' ' MET . 24.6 m-80 -75.64 -41.27 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.08 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 11.4 p -70.32 -49.5 48.8 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.963 -0.46 . . . . 0.0 111.193 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -63.35 -32.25 73.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.306 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.679 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 4.4 ppp? -67.86 -36.63 80.63 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.179 179.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.628 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 44.3 mt-30 -75.04 -23.68 58.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 110.506 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 49' ' ' SER . 13.5 mmmm -68.65 -24.54 64.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.793 174.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 66.1 mtm -108.12 -41.65 4.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.61 -173.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.96 172.8 12.87 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.27 -19.71 56.05 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.486 2.124 . . . . 0.0 112.435 -178.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -132.96 75.42 72.28 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.814 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.82 158.45 46.75 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.733 2.288 . . . . 0.0 112.942 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.724 ' HG2' ' HG2' ' A' ' 62' ' ' ARG . 19.9 Cg_endo -63.9 153.32 76.44 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.848 2.365 . . . . 0.0 111.97 176.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -55.0 -44.57 74.62 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -172.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.459 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 12.9 p80 -66.8 -18.37 65.34 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.871 -173.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.724 ' HG2' ' HG2' ' A' ' 59' ' ' PRO . 34.9 mmt180 -65.98 -47.15 75.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.4 mt -65.76 -31.7 72.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.989 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.709 HH11 ' HG2' ' A' ' 64' ' ' ARG . 26.7 ttp85 -54.08 -52.07 62.12 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.956 175.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.679 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -76.87 -32.43 57.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.631 -178.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 85.3 mmm -60.64 -32.31 71.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.663 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.466 ' HA ' ' CZ2' ' A' ' 9' ' ' TRP . 6.4 t30 -52.49 -55.32 22.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.095 0.474 . . . . 0.0 110.744 176.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.465 HG22 ' HB3' ' B' ' 72' ' ' ALA . 26.4 m -76.1 -28.42 57.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.013 -176.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.557 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.22 -55.43 32.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.825 0.345 . . . . 0.0 110.626 177.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.456 ' HE3' ' HA ' ' A' ' 19' ' ' THR . 19.8 ttt -60.6 -43.03 97.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.609 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.95 95.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.298 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.471 ' HB2' HG21 ' B' ' 68' ' ' THR . . . -65.04 -40.06 94.26 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.278 -178.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 42.6 mt-10 -60.88 -48.15 83.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.98 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.461 HG22 ' SD ' ' A' ' 43' ' ' MET . 53.5 t -61.27 -43.57 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.968 0.413 . . . . 0.0 110.792 177.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.82 -42.41 97.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.501 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.42 -39.63 93.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.005 0.431 . . . . 0.0 110.008 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.491 HG21 ' HG3' ' A' ' 40' ' ' MET . 28.9 t -56.23 -55.19 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.91 176.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.448 ' HB ' HG21 ' A' ' 120' ' ' VAL . 52.5 t -67.27 -38.56 81.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.61 -177.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.81 -26.74 65.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -176.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.4 m -98.08 28.54 3.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.846 0.832 . . . . 0.0 110.964 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 87.4 p -97.2 161.38 26.35 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 170.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.16 135.51 70.34 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 121.633 1.556 . . . . 0.0 110.478 174.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -62.65 -13.53 34.45 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.629 2.22 . . . . 0.0 112.229 -172.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -84.25 -18.23 37.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.856 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 t -119.34 -1.1 10.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.072 0.463 . . . . 0.0 110.254 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -51.93 -56.34 14.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.29 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m -60.54 -27.38 67.6 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.834 -176.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.23 -48.91 25.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.981 0.42 . . . . 0.0 110.459 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.486 HG13 ' HG ' ' A' ' 32' ' ' LEU . 60.7 t -64.16 -42.42 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.055 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 tt -56.02 -52.38 64.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.472 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -58.73 -42.1 87.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.3 m -61.41 -46.25 90.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.612 -177.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.441 HG23 HD12 ' A' ' 97' ' ' LEU . 1.2 mm -68.91 -45.12 81.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.779 177.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.53 -41.89 98.9 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.522 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.03 -39.99 83.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.806 0.336 . . . . 0.0 110.54 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.424 ' SG ' HD23 ' A' ' 22' ' ' LEU . 49.2 t -68.69 -36.58 78.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.122 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.617 HD13 HD22 ' A' ' 22' ' ' LEU . 1.1 mp -50.54 -56.75 10.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.679 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -60.09 -48.08 83.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.095 -175.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.06 -43.14 83.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.019 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.6 m -54.52 -39.58 67.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.336 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.714 ' HG3' ' HB3' ' A' ' 109' ' ' ASP . 20.6 mmt -66.65 -40.54 88.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.76 0.314 . . . . 0.0 110.744 177.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.436 ' HE2' HG21 ' A' ' 108' ' ' VAL . 38.0 tpp -61.35 -32.66 72.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.918 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -84.98 -39.73 17.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.559 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.33 -55.63 11.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.865 -176.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.969 HG23 ' HB ' ' A' ' 8' ' ' ILE . 76.4 p -103.25 -34.07 8.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.978 0.418 . . . . 0.0 111.287 -175.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.1 -2.22 31.43 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.551 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.0 m -133.3 157.65 44.93 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.436 HG21 ' HE2' ' A' ' 102' ' ' MET . 33.6 t -85.64 108.32 17.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.312 0.577 . . . . 0.0 110.4 176.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.714 ' HB3' ' HG3' ' A' ' 101' ' ' MET . 0.1 OUTLIER -67.24 137.95 56.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.025 171.694 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -126.94 19.05 7.15 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -103.41 -54.45 2.59 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.434 ' O ' HG22 ' A' ' 116' ' ' VAL . 65.6 t80 -70.8 -46.87 62.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.943 178.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.501 ' HA ' HD22 ' A' ' 97' ' ' LEU . 30.8 m -60.76 -39.85 90.3 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.186 0.517 . . . . 0.0 110.467 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -66.07 -44.43 84.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.368 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.07 -47.43 85.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.733 -176.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 112' ' ' PHE . 71.5 t -57.38 -41.61 78.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.959 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.564 ' HE3' ' HA ' ' A' ' 117' ' ' MET . 30.3 mmt -63.95 -43.35 96.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.057 -177.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -72.72 -37.97 67.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.795 0.331 . . . . 0.0 110.575 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 24.0 mt -58.06 -52.82 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.133 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.448 HG21 ' HB ' ' A' ' 78' ' ' VAL . 10.8 p -67.51 -31.9 54.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.357 -175.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -70.07 -42.98 72.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.447 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -66.18 -43.16 87.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.951 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 88.8 mt -71.19 -16.37 62.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.726 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.4 t -108.62 3.75 23.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.99 0.424 . . . . 0.0 110.492 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -86.73 93.65 9.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.256 0.55 . . . . 0.0 110.033 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -84.43 88.59 7.29 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.666 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.7 m -152.79 161.1 42.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.271 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.48 25.28 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.461 0.648 . . . . 0.0 109.738 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -79.94 172.57 13.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.315 -174.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -135.01 119.68 18.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.307 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 31.1 m -98.23 10.45 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.161 0.505 . . . . 0.0 111.062 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.6 p -107.36 151.95 24.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.959 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.297 177.314 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.233 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -96.18 159.34 15.01 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.48 56.84 4.14 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.569 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -154.28 177.39 11.18 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 44.7 m -66.82 139.67 57.79 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -96.64 116.04 65.93 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 121.116 0.484 . . . . 0.0 110.928 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -91.07 148.66 3.76 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.04 2.494 . . . . 0.0 112.452 177.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.437 HD13 ' HE3' ' B' ' 101' ' ' MET . 2.5 pp -81.6 1.44 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.18 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 53.1 m95 -75.67 12.93 0.9 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.901 -178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.2 m -74.26 -19.75 60.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.721 0.772 . . . . 0.0 108.945 170.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -122.17 115.64 30.17 Favored Pre-proline 0 N--CA 1.452 -0.33 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.464 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . 0.447 ' HG3' ' HD2' ' B' ' 58' ' ' PRO . 37.8 Cg_endo -71.55 -30.27 15.2 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.935 2.423 . . . . 0.0 112.52 -176.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -70.16 -40.76 74.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.056 0.455 . . . . 0.0 109.855 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.464 ' HB3' HG21 ' B' ' 105' ' ' THR . . . -63.17 -47.28 83.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.523 178.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.49 98.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.848 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 46.5 ttm -61.54 -35.83 78.84 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.983 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 35.3 m -62.68 -38.96 92.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.157 0.504 . . . . 0.0 109.847 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' MET . . . . . 1.07 ' HE2' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -64.15 -40.27 95.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.845 178.618 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.415 ' HA ' ' HE3' ' B' ' 70' ' ' MET . 1.3 m -60.63 -42.77 97.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.049 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -71.39 -38.48 71.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.097 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.41 -38.84 91.22 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.131 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.412 HD23 ' SG ' ' B' ' 96' ' ' CYS . 48.6 mt -59.81 -40.02 86.97 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.986 0.422 . . . . 0.0 111.475 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 97.0 t -67.39 -37.87 79.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.998 0.428 . . . . 0.0 110.475 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -63.48 -50.88 67.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.269 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . 0.513 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 29.8 p -66.76 -36.57 82.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.718 0.294 . . . . 0.0 110.895 -177.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.28 -44.12 92.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.888 0.375 . . . . 0.0 111.271 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 34.0 t -65.72 -40.66 92.44 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.513 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 4.2 ptm180 -78.3 -21.96 48.9 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.502 -177.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.9 p -78.01 -41.67 35.09 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.26 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.29 19.5 78.27 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.708 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.44 HG13 HG22 ' B' ' 89' ' ' VAL . 19.3 t -81.67 -40.55 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.319 0.58 . . . . 0.0 110.091 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.414 ' N ' HD12 ' B' ' 32' ' ' LEU . 5.5 mp -78.54 158.06 28.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.817 -176.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 28.0 p -92.72 175.49 6.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.972 -177.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.82 96.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.827 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.74 -42.61 84.26 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.484 177.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -69.93 -47.14 63.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.629 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 84.4 mmm -62.55 -40.23 96.15 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 111.173 -179.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -68.79 -31.29 70.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.596 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.601 ' O ' ' HG2' ' B' ' 42' ' ' MET . 0.9 OUTLIER -66.63 -49.74 65.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.012 176.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.533 ' HG3' HG21 ' B' ' 77' ' ' VAL . 91.1 mtp -64.25 -28.47 69.75 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.173 0.511 . . . . 0.0 110.734 177.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.05 -43.14 97.74 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.239 177.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.601 ' HG2' ' O ' ' B' ' 39' ' ' ASP . 18.8 ptt? -71.41 -25.71 62.45 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' MET . . . . . 0.479 ' SD ' HG22 ' B' ' 74' ' ' VAL . 49.4 ttp -57.87 -48.96 78.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.046 0.45 . . . . 0.0 110.302 175.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.04 95.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.772 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.53 -37.97 89.36 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.988 0.423 . . . . 0.0 110.609 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 43.2 t -56.77 -50.45 72.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.76 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.428 HG21 ' O ' ' B' ' 43' ' ' MET . 11.2 t -63.07 -38.61 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.7 -178.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . 0.57 ' O ' ' HG3' ' B' ' 51' ' ' MET . 30.5 m-80 -73.3 -33.37 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 31.1 p -78.11 -45.92 22.12 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.783 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.413 ' HA ' ' HB2' ' B' ' 53' ' ' LYS . 17.7 mt-30 -72.13 -19.56 61.76 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.392 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.57 ' HG3' ' O ' ' B' ' 48' ' ' ASN . 3.1 ppp? -69.13 -34.66 75.39 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -76.24 -27.68 56.85 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.455 0.645 . . . . 0.0 109.639 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.413 ' HB2' ' HA ' ' B' ' 50' ' ' GLN . 38.4 mmtm -71.01 -11.05 60.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.201 174.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 75.7 mtm -115.07 -63.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.593 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.63 -177.04 25.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.177 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.12 -21.83 35.91 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.779 2.32 . . . . 0.0 112.501 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -130.78 72.67 81.75 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.247 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . 0.447 ' HD2' ' HG3' ' B' ' 12' ' ' PRO . 36.0 Cg_exo -62.14 153.94 66.05 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.97 2.447 . . . . 0.0 113.386 -178.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.854 ' HG2' ' HG3' ' B' ' 62' ' ' ARG . 36.1 Cg_endo -67.01 126.79 15.74 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.935 2.423 . . . . 0.0 110.767 175.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.439 ' HG2' HD11 ' B' ' 63' ' ' LEU . 19.7 mt-30 -69.68 -17.57 63.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -171.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.808 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 32.0 p80 -70.14 -34.07 72.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.749 173.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . 0.854 ' HG3' ' HG2' ' B' ' 59' ' ' PRO . 6.3 mmm-85 -72.31 -28.38 63.05 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 174.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.439 HD11 ' HG2' ' B' ' 60' ' ' GLN . 94.2 mt -71.26 -33.75 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.848 176.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.808 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 19.9 ptt180 -65.92 -35.74 81.46 Favored 'General case' 0 C--O 1.227 -0.113 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 177.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.11 -35.58 66.59 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.759 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 91.4 mmm -66.98 -31.51 72.12 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 176.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -55.04 -55.74 27.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.404 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' THR . . . . . 0.471 HG21 ' HB2' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -61.6 -37.28 83.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.973 179.437 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -59.97 -58.4 8.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.184 179.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' MET . . . . . 0.415 ' HE3' ' HA ' ' B' ' 19' ' ' THR . 21.8 ttt -57.91 -46.34 85.11 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.929 0.395 . . . . 0.0 110.845 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . 0.41 ' HB3' HG22 ' B' ' 116' ' ' VAL . . . -62.6 -43.96 97.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.226 -178.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . 0.465 ' HB3' HG22 ' A' ' 68' ' ' THR . . . -68.41 -33.45 74.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.386 -178.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 45.0 mt-10 -64.73 -49.0 72.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.517 0.199 . . . . 0.0 110.7 178.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.479 HG22 ' SD ' ' B' ' 43' ' ' MET . 47.7 t -59.02 -46.28 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.061 0.457 . . . . 0.0 110.586 175.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.23 98.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.911 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.679 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 18.1 tp10 -57.66 -49.27 77.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.89 176.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.533 HG21 ' HG3' ' B' ' 40' ' ' MET . 57.7 t -53.73 -55.4 13.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.813 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.428 ' HB ' HG21 ' B' ' 120' ' ' VAL . 54.7 t -63.87 -39.16 84.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.454 -177.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.78 -11.43 60.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -176.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 18.8 m -92.76 -11.63 33.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.009 0.433 . . . . 0.0 110.753 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 93.9 p -66.65 147.01 99.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.37 146.68 24.0 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.626 2.217 . . . . 0.0 111.829 177.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.96 -7.27 12.91 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.677 2.251 . . . . 0.0 112.42 -175.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -91.61 -15.63 28.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.908 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 10.8 p -125.45 0.87 7.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.603 -175.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -54.95 -47.46 74.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.342 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 2.0 p -64.67 -41.26 96.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.474 -177.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.2 86.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.871 0.367 . . . . 0.0 111.216 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.44 HG22 HG13 ' B' ' 31' ' ' VAL . 61.4 t -66.3 -45.49 89.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.331 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 tt -59.01 -45.2 91.26 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.832 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -59.25 -45.26 91.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.089 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.1 m -62.48 -51.93 65.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.77 -176.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' B' ' 93' ' ' ILE . 1.3 mm -62.97 -47.56 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.872 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.7 -45.27 90.94 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.861 -177.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.06 -31.37 67.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.886 0.374 . . . . 0.0 110.789 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' CYS . . . . . 0.412 ' SG ' HD23 ' B' ' 22' ' ' LEU . 53.4 t -72.04 -35.17 69.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.918 -179.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 1.07 ' HG ' ' HE2' ' B' ' 18' ' ' MET . 4.2 mp -56.41 -40.99 75.6 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.709 0.29 . . . . 0.0 111.429 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -62.93 -47.22 84.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.164 0.506 . . . . 0.0 109.982 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -67.54 -49.56 62.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.255 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 68.8 m -52.27 -36.56 53.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.14 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.515 ' HE1' ' HB3' ' B' ' 109' ' ' ASP . 14.6 mmt -69.62 -41.62 75.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.712 0.292 . . . . 0.0 110.907 178.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' MET . . . . . 0.471 ' HE1' HG21 ' B' ' 108' ' ' VAL . 49.4 tpp -64.52 -36.36 83.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.072 0.463 . . . . 0.0 110.55 178.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -80.38 -18.04 50.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.127 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.82 -59.58 2.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.351 -177.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.464 HG21 ' HB3' ' B' ' 14' ' ' ALA . 68.0 p -100.83 -43.27 6.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.015 0.436 . . . . 0.0 111.29 -175.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 117.34 -6.98 16.49 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -173.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.6 m -134.43 134.51 41.68 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' VAL . . . . . 0.471 HG21 ' HE1' ' B' ' 102' ' ' MET . 87.0 t -77.44 107.42 8.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.036 0.446 . . . . 0.0 111.116 -177.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . 0.515 ' HB3' ' HE1' ' B' ' 101' ' ' MET . 11.9 t0 -66.13 107.77 2.04 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.55 174.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -80.55 -26.89 37.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.752 -178.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.29 -45.9 85.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.632 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' PHE . . . . . 0.477 ' O ' HG21 ' B' ' 116' ' ' VAL . 84.5 t80 -69.42 -50.81 42.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.198 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' THR . . . . . 0.513 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 16.7 m -55.54 -43.43 75.78 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.421 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . 0.441 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 45.7 t30 -64.71 -47.04 79.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.741 178.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.07 -43.46 98.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 -175.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . 0.477 HG21 ' O ' ' B' ' 112' ' ' PHE . 87.6 t -60.24 -39.62 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.891 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' MET . . . . . 0.546 ' HE1' ' HA ' ' B' ' 117' ' ' MET . 28.9 mmt -66.5 -40.65 89.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.113 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 70.0 mt-30 -64.17 -45.34 88.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.293 177.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 33.3 mt -57.35 -53.1 61.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.367 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . 0.428 HG21 ' HB ' ' B' ' 78' ' ' VAL . 14.8 p -66.39 -33.2 61.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.841 0.353 . . . . 0.0 111.817 -174.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -76.52 -36.53 57.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.679 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -68.44 -39.24 81.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.868 0.366 . . . . 0.0 111.042 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.22 -8.98 50.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 6.2 t -128.5 21.75 6.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.505 0.669 . . . . 0.0 109.366 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.443 ' C ' ' H ' ' B' ' 127' ' ' SER . . . -90.18 117.81 29.22 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.916 -174.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -76.3 10.73 1.86 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.401 178.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' SER . . . . . 0.443 ' H ' ' C ' ' B' ' 125' ' ' ALA . 26.0 m -110.08 83.02 1.69 Allowed 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.708 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.21 12.49 2.82 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.481 0.658 . . . . 0.0 109.723 176.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -85.46 157.82 20.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.914 -176.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -77.78 86.37 4.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.586 0.707 . . . . 0.0 111.074 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 30.8 m -88.94 6.88 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.646 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 6.6 p -137.58 150.11 47.21 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.079 177.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 26.5 m . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.446 -176.823 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.685 ' HB ' HG21 ' A' ' 105' ' ' THR . 2.8 pp . . . . . 0 CA--C 1.529 0.152 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.402 ' CZ2' ' HA ' ' A' ' 67' ' ' ASN . 42.5 m95 -77.38 18.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.543 178.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.3 p -70.9 -23.01 62.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.348 0.594 . . . . 0.0 109.725 172.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -125.78 115.87 24.54 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.37 172.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -65.8 -30.46 49.69 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.863 2.375 . . . . 0.0 112.373 -175.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -76.92 -33.4 57.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.753 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.88 -42.52 90.21 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 176.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.41 90.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.735 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.6 ttm -61.63 -27.66 68.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.201 0.524 . . . . 0.0 110.713 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 48.6 m -64.08 -36.39 83.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.197 177.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.6 ttt -66.57 -41.02 89.21 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -41.24 85.82 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.253 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -69.21 -46.68 66.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.888 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -63.35 -35.51 80.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.421 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.637 HD21 HD12 ' A' ' 97' ' ' LEU . 29.8 mt -60.03 -48.61 81.0 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.603 0.24 . . . . 0.0 110.864 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.23 -41.7 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.681 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -64.48 -44.46 90.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.937 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 27.6 t -65.37 -38.95 91.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.01 0.433 . . . . 0.0 110.579 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -69.12 -38.77 79.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.057 0.456 . . . . 0.0 110.783 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.1 t -68.46 -37.6 80.33 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.912 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 25' ' ' CYS . 7.5 ptm180 -80.06 -19.53 47.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.933 -177.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.423 ' HB2' HG23 ' A' ' 31' ' ' VAL . 14.1 p -84.69 -46.28 11.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.966 0.413 . . . . 0.0 109.923 174.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.33 21.63 72.53 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.715 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.423 HG23 ' HB2' ' A' ' 29' ' ' SER . 14.1 t -79.74 -26.94 12.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.337 0.589 . . . . 0.0 110.179 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.425 HD13 ' HB1' ' A' ' 26' ' ' ALA . 5.7 mp -90.64 152.68 20.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.794 -175.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.4 ' OG1' ' HG3' ' A' ' 36' ' ' GLN . 48.2 p -83.17 169.69 15.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.519 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.72 78.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.718 0.294 . . . . 0.0 111.042 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 1.051 ' HB3' HH22 ' B' ' 64' ' ' ARG . 2.9 m-20 -52.79 -60.72 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.716 175.087 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.791 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . 8.1 mt-30 -66.61 -36.91 83.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.962 -173.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.5 mmm -63.79 -45.2 90.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.296 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -71.34 -33.18 69.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.805 -176.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 42' ' ' MET . 69.0 m-20 -66.08 -40.78 91.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.959 0.409 . . . . 0.0 110.385 176.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.524 ' O ' ' HB3' ' A' ' 43' ' ' MET . 83.3 mtp -66.59 -34.88 78.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.075 0.464 . . . . 0.0 110.339 174.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.94 -44.85 97.25 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.058 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.527 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -74.99 -18.07 60.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.882 0.372 . . . . 0.0 110.241 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.524 ' HB3' ' O ' ' A' ' 40' ' ' MET . 43.1 ttp -63.41 -43.82 96.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.121 0.486 . . . . 0.0 109.729 172.071 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.48 97.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.3 175.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.78 -44.23 93.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.027 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.0 p -59.81 -48.77 80.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.041 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.8 t -61.28 -43.77 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.166 0.507 . . . . 0.0 110.174 176.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 23.0 t-20 -57.0 -51.3 69.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.456 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.6 p -77.51 -31.63 53.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.513 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.637 HE22 ' HB3' ' B' ' 46' ' ' SER . 3.9 tp-100 -62.85 -41.14 99.24 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 176.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.4 ttp -59.14 -45.46 90.89 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.553 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 69.6 mt-30 -59.53 -37.59 78.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.088 0.471 . . . . 0.0 110.744 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -68.39 -24.71 64.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.711 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.556 ' CB ' ' HB3' ' A' ' 58' ' ' PRO . 70.9 mtm -105.33 -6.9 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.447 -175.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.62 178.66 35.22 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.561 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.41 -11.17 29.55 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.789 2.326 . . . . 0.0 112.433 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -146.01 78.23 11.6 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.999 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.556 ' HB3' ' CB ' ' A' ' 54' ' ' MET . 35.6 Cg_endo -64.72 167.14 16.07 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.192 2.594 . . . . 0.0 113.356 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HG2' ' HD2' ' A' ' 62' ' ' ARG . 52.4 Cg_exo -51.64 131.56 37.83 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.991 2.461 . . . . 0.0 112.087 175.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -59.21 -39.49 82.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.351 -176.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.601 ' HB2' ' NH2' ' A' ' 64' ' ' ARG . 20.9 p80 -68.3 -26.6 65.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 0.0 111.005 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 66' ' ' MET . 77.1 mtt180 -73.09 -36.14 66.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.246 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.416 HD21 ' HG2' ' A' ' 58' ' ' PRO . 98.8 mt -63.33 -37.49 87.46 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 174.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.918 HH22 ' HB3' ' B' ' 35' ' ' ASP . 44.6 ttp180 -55.14 -47.39 75.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.754 174.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.62 72.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.173 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 95.9 mmm -57.02 -30.19 63.99 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.76 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.402 ' HA ' ' CZ2' ' A' ' 9' ' ' TRP . 18.6 t-20 -51.61 -51.99 51.16 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.073 0.463 . . . . 0.0 111.03 176.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.9 m -75.69 -29.42 59.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.935 -175.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.582 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -61.51 -52.49 64.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.931 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.0 ttt -57.77 -44.69 86.35 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.981 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.26 92.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.185 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.418 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -64.6 -40.36 95.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.361 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 6.9 mm-40 -62.12 -45.26 94.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.74 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.563 ' O ' HG23 ' A' ' 78' ' ' VAL . 54.5 t -63.87 -42.19 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.696 177.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.24 88.86 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.451 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.465 ' OE1' ' HA ' ' B' ' 65' ' ' ALA . 23.0 tt0 -64.22 -50.11 69.29 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.909 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.791 ' HB ' ' HB3' ' A' ' 36' ' ' GLN . 35.7 m -60.21 -38.72 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.867 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 74' ' ' VAL . 67.9 t -63.81 -40.54 89.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.099 0.476 . . . . 0.0 110.261 177.278 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HB1' ' HB2' ' A' ' 124' ' ' SER . . . -78.89 -3.57 45.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.735 -176.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 80' ' ' THR . 24.2 m -102.19 5.61 40.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.705 0.764 . . . . 0.0 110.201 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.1 m -77.62 159.2 77.4 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.028 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -53.57 160.26 5.51 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.813 2.342 . . . . 0.0 111.339 173.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.58 -22.57 58.19 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.159 1.906 . . . . 0.0 112.17 -170.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -96.58 -23.56 16.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.272 0.558 . . . . 0.0 110.737 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.7 m -92.34 -16.99 25.3 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.884 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -54.57 -49.63 69.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.982 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.7 t -64.18 -34.59 78.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.549 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.83 -53.92 27.72 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.018 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.432 HG12 HG22 ' A' ' 78' ' ' VAL . 85.9 t -63.0 -40.72 90.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.767 -178.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -56.93 -52.16 66.28 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.413 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.84 -38.58 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.933 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 38.1 m -65.65 -51.79 56.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.616 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.501 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.1 mm -61.27 -43.31 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.1 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.4 -38.4 93.39 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.241 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.518 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -68.44 -49.2 61.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.725 0.298 . . . . 0.0 110.368 176.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 75.9 m -61.74 -32.63 72.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.495 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.637 HD12 HD21 ' A' ' 22' ' ' LEU . 1.1 mp -54.21 -54.31 41.71 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.938 0.399 . . . . 0.0 111.106 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.3 ttt-85 -59.11 -51.46 69.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.003 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 9.8 mm-40 -60.2 -44.66 94.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.783 -177.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.5 m -55.54 -46.38 77.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.196 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.447 ' SD ' HG12 ' A' ' 8' ' ' ILE . 16.8 mmt -62.94 -44.75 95.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.1 ttm -65.32 -31.81 73.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.599 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -89.55 -11.98 41.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.824 0.345 . . . . 0.0 111.377 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.5 -58.1 2.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.848 0.356 . . . . 0.0 111.242 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.685 HG21 ' HB ' ' A' ' 8' ' ' ILE . 71.9 p -103.31 -25.58 13.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.28 -175.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 103.32 -7.77 51.78 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.744 -177.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.0 m -134.47 159.18 41.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.8 t -93.33 106.26 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.844 0.354 . . . . 0.0 110.673 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -69.76 112.93 6.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.893 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -77.91 -30.97 50.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.02 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.87 75.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 -175.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.441 ' O ' HG23 ' A' ' 116' ' ' VAL . 50.8 t80 -72.76 -44.46 61.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.449 -178.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.592 ' HA ' HD23 ' A' ' 97' ' ' LEU . 49.3 m -63.9 -36.35 83.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 110.72 -176.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -73.09 -40.08 65.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.5 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -58.08 -45.36 87.3 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.77 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 112' ' ' PHE . 57.3 t -60.6 -38.63 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.411 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.7 mmt -68.93 -39.89 79.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.146 0.498 . . . . 0.0 110.219 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -70.01 -41.56 74.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.367 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.623 HD23 ' HE1' ' B' ' 122' ' ' MET . 20.4 mt -59.12 -50.93 72.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.271 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.7 p -67.17 -36.14 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -172.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -68.0 -40.12 83.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.979 0.418 . . . . 0.0 110.576 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -74.07 -38.07 64.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.796 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -60.71 -29.31 69.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.756 -175.485 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.448 ' HB2' ' HB1' ' A' ' 79' ' ' ALA . 7.3 t . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 120.912 0.387 . . . . 0.0 110.764 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.443 ' CG2' HG21 ' B' ' 105' ' ' THR . 17.0 pt . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.881 0.372 . . . . 0.0 111.637 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -75.07 84.15 2.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.793 0.806 . . . . 0.0 111.261 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.2 t -154.67 -36.53 0.09 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.283 -1.326 . . . . 0.0 108.173 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -100.89 114.01 65.78 Favored Pre-proline 0 N--CA 1.452 -0.35 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 169.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' PRO . . . . . 0.503 ' HB2' ' SD ' ' B' ' 51' ' ' MET . 27.2 Cg_endo -67.88 -32.92 28.01 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.665 2.243 . . . . 0.0 112.384 -173.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -70.31 -41.8 72.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.992 0.425 . . . . 0.0 110.519 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.44 89.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.697 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.47 96.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.71 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.8 ttm -62.36 -28.26 69.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.891 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 32.2 m -61.35 -39.26 89.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.15 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.629 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 6.6 ttt -64.75 -42.44 95.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.976 177.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -59.6 -45.28 92.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.63 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -65.54 -44.9 85.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.833 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -63.62 -32.27 73.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.529 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.29 -47.48 85.77 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 120.65 0.262 . . . . 0.0 110.886 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.51 -39.52 85.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.49 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.535 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 46.0 mt-30 -66.05 -41.0 91.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 30.3 t -64.95 -42.12 94.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.482 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.63 80.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.284 0.564 . . . . 0.0 111.031 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 37.6 t -70.85 -29.54 65.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.185 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 2.2 ptp180 -98.11 6.67 47.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.639 0.257 . . . . 0.0 111.677 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.411 ' HB2' HG23 ' B' ' 31' ' ' VAL . 18.4 p -104.9 -44.38 4.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.975 0.417 . . . . 0.0 110.071 173.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.94 15.42 81.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.854 175.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.411 HG23 ' HB2' ' B' ' 29' ' ' SER . 10.7 t -79.87 -24.45 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.466 0.65 . . . . 0.0 109.774 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.578 HD23 ' HB3' ' B' ' 36' ' ' GLN . 5.3 mp -90.2 166.76 13.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.841 -174.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 23.1 p -108.08 178.08 4.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.95 -41.46 74.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.591 0.234 . . . . 0.0 110.703 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.918 ' HB3' HH22 ' A' ' 64' ' ' ARG . 4.6 m-20 -47.08 -63.37 1.05 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.684 0.754 . . . . 0.0 110.211 172.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.578 ' HB3' HD23 ' B' ' 32' ' ' LEU . 51.2 mt-30 -63.25 -46.44 86.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.277 -1.329 . . . . 0.0 112.05 -173.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 85.0 mmm -65.03 -34.02 77.43 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -176.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.455 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 37.1 t70 -81.1 -35.59 31.44 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.856 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -66.39 -43.92 84.49 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.977 0.418 . . . . 0.0 110.125 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.588 ' HG3' HG21 ' B' ' 77' ' ' VAL . 88.2 mtp -66.76 -32.5 73.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.029 0.442 . . . . 0.0 110.223 174.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.18 -47.14 91.86 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.883 176.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.425 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 18.5 ptt? -74.15 -15.72 61.02 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.459 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' MET . . . . . 0.502 ' O ' HG23 ' B' ' 47' ' ' VAL . 51.3 ttp -64.83 -50.93 64.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.067 0.46 . . . . 0.0 110.056 173.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.74 85.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.352 0.596 . . . . 0.0 110.233 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.425 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 30.0 t70 -67.44 -42.84 82.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.659 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.637 ' HB3' HE22 ' A' ' 50' ' ' GLN . 9.0 p -62.57 -46.64 87.4 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.999 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 43' ' ' MET . 43.0 t -55.5 -44.48 76.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.111 0.481 . . . . 0.0 110.281 177.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -66.39 -51.7 54.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.952 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.564 ' O ' ' HG2' ' B' ' 52' ' ' GLN . 28.9 p -70.41 -25.64 63.32 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -76.72 -32.97 58.18 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.1 175.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' MET . . . . . 0.503 ' SD ' ' HB2' ' B' ' 12' ' ' PRO . 45.3 mtp -67.73 -42.74 81.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.008 177.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' B' ' 49' ' ' SER . 11.9 pt20 -66.4 -21.53 66.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.745 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' B' ' 49' ' ' SER . 48.8 mtpt -76.58 -24.05 53.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 175.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' MET . . . . . 0.556 ' SD ' ' HD2' ' B' ' 62' ' ' ARG . 74.1 mtm -98.88 -55.13 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.09 -175.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.28 -172.6 23.14 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.091 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -72.93 -9.59 23.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.967 2.445 . . . . 0.0 112.598 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -146.13 87.94 6.48 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.226 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.42 167.78 17.01 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.97 2.447 . . . . 0.0 112.2 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -67.24 129.84 21.31 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.361 2.041 . . . . 0.0 111.2 174.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -61.12 -30.53 70.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.967 -173.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' HIS . . . . . 0.563 ' O ' ' HB3' ' B' ' 64' ' ' ARG . 35.0 p80 -61.68 -30.69 70.9 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.414 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.557 ' O ' ' HG2' ' B' ' 66' ' ' MET . 71.4 mtt180 -69.85 -40.05 76.02 Favored 'General case' 0 CA--C 1.522 -0.106 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.223 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.65 -35.03 79.69 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 1.051 HH22 ' HB3' ' A' ' 35' ' ' ASP . 54.8 ttp180 -53.44 -50.9 64.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.104 172.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.465 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -68.75 -22.58 64.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.725 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 93.3 mmm -72.51 -29.05 63.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.611 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' B' ' 64' ' ' ARG . 11.1 t-20 -50.78 -59.47 4.06 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.547 0.53 . . . . 0.0 111.466 177.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.418 HG22 ' HB1' ' A' ' 72' ' ' ALA . 25.3 m -73.7 -27.44 61.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.2 -175.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.39 -54.43 45.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.957 0.408 . . . . 0.0 110.563 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.1 ttt -59.61 -44.49 93.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.06 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.69 88.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.304 -177.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.56 83.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.285 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -60.36 -50.08 75.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.242 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.443 ' O ' HG23 ' B' ' 78' ' ' VAL . 55.7 t -59.17 -41.64 84.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.937 0.398 . . . . 0.0 110.698 178.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.39 91.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.226 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -61.21 -43.21 99.24 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.588 HG21 ' HG3' ' B' ' 40' ' ' MET . 5.7 t -53.28 -57.76 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.054 177.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 74' ' ' VAL . 66.4 t -61.3 -39.86 84.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.456 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.19 -4.97 36.23 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 25.6 m -88.03 -12.72 43.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.301 0.572 . . . . 0.0 110.672 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 40.4 m -70.28 156.33 92.03 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.139 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' PRO . . . . . 0.638 ' HD2' ' HB2' ' B' ' 85' ' ' SER . 24.5 Cg_exo -64.49 163.06 28.3 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.672 2.248 . . . . 0.0 109.99 172.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -55.56 -43.28 59.51 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.345 2.03 . . . . 0.0 112.166 -173.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -69.82 -31.63 69.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.474 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.638 ' HB2' ' HD2' ' B' ' 82' ' ' PRO . 19.2 m -87.11 -27.41 23.12 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -53.36 -51.09 63.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.545 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 36.5 t -61.28 -40.77 95.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.873 0.368 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.71 -46.93 70.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.288 -178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.39 -42.68 96.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.979 0.419 . . . . 0.0 110.271 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.82 -51.38 70.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.365 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -55.99 -45.8 78.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.771 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 88.4 m -61.7 -55.77 26.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.848 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -60.24 -41.69 87.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.117 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.78 -31.94 65.02 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.245 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.81 -39.73 21.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.735 0.303 . . . . 0.0 110.65 176.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 92.9 m -58.38 -39.21 79.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.213 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.681 HD23 ' HA ' ' B' ' 113' ' ' THR . 6.9 mp -59.5 -45.72 90.9 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.732 0.301 . . . . 0.0 110.929 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -58.34 -52.62 64.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.698 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.7 -48.2 81.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.433 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.1 m -55.26 -38.55 68.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.358 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 11.9 mmt -64.43 -43.76 93.34 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.043 0.449 . . . . 0.0 110.87 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 22.0 ttm -68.78 -29.13 67.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.206 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -84.47 -24.93 29.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.847 0.356 . . . . 0.0 111.051 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.32 -56.62 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.312 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.443 HG21 ' CG2' ' B' ' 8' ' ' ILE . 81.3 p -107.29 -36.5 6.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.154 0.502 . . . . 0.0 111.239 -175.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 118.65 -13.79 11.79 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.528 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 22.0 m -128.84 154.24 46.65 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 61.7 t -92.83 117.75 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.016 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -88.38 132.55 34.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.091 172.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -96.2 -19.74 19.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.553 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.72 -50.49 70.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.922 0.391 . . . . 0.0 110.801 -176.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -69.8 -49.1 56.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.286 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.681 ' HA ' HD23 ' B' ' 97' ' ' LEU . 24.4 m -55.18 -43.44 74.34 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.836 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -66.08 -42.4 89.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.691 0.282 . . . . 0.0 110.892 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.08 -45.47 83.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.522 HG21 HD21 ' B' ' 97' ' ' LEU . 60.9 t -62.84 -33.59 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.255 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 117' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' B' ' 113' ' ' THR . 26.2 mmt -68.62 -43.4 76.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.316 0.579 . . . . 0.0 109.846 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -67.87 -36.24 79.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.486 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' B' ' 116' ' ' VAL . 31.0 mt -62.12 -54.14 45.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.015 177.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 13.6 p -65.98 -34.75 72.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.653 -173.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' LYS . . . . . 0.418 ' HE3' ' HB3' ' B' ' 121' ' ' LYS . 28.4 mtpp -66.28 -40.39 90.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.95 0.405 . . . . 0.0 110.367 176.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.623 ' HE1' HD23 ' A' ' 119' ' ' LEU . 41.7 ttp -67.01 -40.22 87.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.006 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.35 -20.07 65.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.286 0.565 . . . . 0.0 111.208 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 33.7 m -105.1 10.7 33.84 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.776 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 121.248 0.547 . . . . 0.0 111.218 -178.96 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.477 ' CG2' HG21 ' A' ' 105' ' ' THR . 9.2 pt . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -74.76 3.79 7.43 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.248 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.5 m -60.17 -27.57 67.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.342 0.592 . . . . 0.0 109.826 171.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -128.02 115.39 20.41 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 170.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -65.17 -29.84 55.57 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.881 2.388 . . . . 0.0 112.63 -171.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -72.4 -39.13 68.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.781 0.324 . . . . 0.0 110.577 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.87 -42.88 84.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.239 0.542 . . . . 0.0 110.179 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.407 ' HA ' ' CD1' ' A' ' 8' ' ' ILE . . . -64.15 -41.07 97.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.635 176.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.543 ' HE2' HG12 ' A' ' 47' ' ' VAL . 48.3 ttm -62.81 -24.8 67.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.553 177.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.8 m -70.49 -34.35 72.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.089 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.895 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -65.41 -41.4 93.66 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -39.91 95.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.301 175.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -65.57 -48.41 72.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.625 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -62.54 -32.55 73.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.143 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 18' ' ' MET . 30.3 mt -61.54 -46.25 90.72 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.64 0.257 . . . . 0.0 110.673 176.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.71 -41.1 91.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.201 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.45 ' HB3' ' NH2' ' A' ' 28' ' ' ARG . 74.8 mt-30 -60.91 -47.95 84.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.021 0.439 . . . . 0.0 110.619 177.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.1 t -62.55 -39.16 92.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.692 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.18 -38.41 78.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.131 0.491 . . . . 0.0 111.206 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.9 t -67.77 -32.84 73.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.605 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.45 ' NH2' ' HB3' ' A' ' 24' ' ' GLN . 5.2 ptp180 -88.04 -20.58 25.58 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.561 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.5 p -80.27 -48.89 12.35 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.29 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.58 9.33 86.19 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.647 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 89' ' ' VAL . 11.1 p -75.51 -18.74 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.246 0.546 . . . . 0.0 110.029 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.529 HD23 ' HB3' ' A' ' 36' ' ' GLN . 5.4 mp -84.47 175.05 9.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.319 178.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.8 p -108.67 178.77 4.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.683 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.92 99.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.907 0.384 . . . . 0.0 110.258 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.43 -50.91 68.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.982 174.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.529 ' HB3' HD23 ' A' ' 32' ' ' LEU . 48.1 mt-30 -64.03 -46.25 85.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.001 -177.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 78.6 mmm -66.56 -41.45 88.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.68 -31.93 71.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.101 0.477 . . . . 0.0 110.426 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.425 ' OD1' ' HB2' ' B' ' 65' ' ' ALA . 2.7 t70 -70.98 -45.58 63.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.1 178.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 50.0 mmm -58.67 -41.33 85.9 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.349 175.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.38 -40.93 99.46 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.848 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -62.39 -39.83 94.5 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.58 0.229 . . . . 0.0 110.567 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.419 ' O ' HG23 ' A' ' 47' ' ' VAL . 39.6 ttp -55.19 -51.25 67.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.687 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.7 97.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.92 -45.37 90.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.316 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.8 t -58.34 -52.76 64.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.543 HG12 ' HE2' ' A' ' 16' ' ' MET . 53.6 t -56.16 -43.69 76.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-O 120.902 0.382 . . . . 0.0 110.655 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -63.69 -46.86 83.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.368 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 t -62.86 -44.8 95.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.651 -178.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -62.02 -38.34 88.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 68.0 mmm -62.44 -44.07 97.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.903 176.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -61.41 -33.08 73.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.793 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -78.23 -21.55 49.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.825 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.605 ' SD ' ' HD3' ' A' ' 62' ' ' ARG . 75.9 mtm -93.04 -43.14 9.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.749 0.309 . . . . 0.0 111.11 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.13 -147.11 18.44 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.591 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.84 132.64 17.32 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.766 2.311 . . . . 0.0 112.386 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 56.71 89.26 0.11 Allowed Pre-proline 0 N--CA 1.467 0.419 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.164 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -75.13 159.81 40.45 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.174 1.916 . . . . 0.0 111.409 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.478 ' HG2' ' CB ' ' A' ' 62' ' ' ARG . 12.7 Cg_endo -58.66 129.06 30.54 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.595 2.197 . . . . 0.0 111.85 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -59.23 -39.76 83.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.317 -175.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -67.41 -22.64 65.53 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.123 0.487 . . . . 0.0 110.356 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.605 ' HD3' ' SD ' ' A' ' 54' ' ' MET . 45.4 ttt180 -80.28 -28.82 38.27 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.18 -39.9 95.98 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.478 HH11 ' HG2' ' A' ' 64' ' ' ARG . 36.9 ttp85 -56.73 -44.02 81.22 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.106 172.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.434 ' HA ' ' OE2' ' B' ' 76' ' ' GLU . . . -65.76 -52.03 54.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.421 -0.808 . . . . 0.0 112.176 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 90.2 mmm -62.11 -31.04 71.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.396 -173.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -57.95 -45.83 86.04 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.214 0.531 . . . . 0.0 110.308 174.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 m -73.12 -39.15 65.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.734 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.82 53.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.192 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.9 ttt -55.64 -41.28 73.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.148 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -47.41 82.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.28 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.68 -29.82 68.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.33 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.625 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 48.6 mt-10 -65.2 -50.71 64.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.747 178.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.56 -41.17 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.21 0.528 . . . . 0.0 110.458 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.0 95.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.509 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.625 ' HG3' ' O ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -71.19 -22.51 62.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.383 -179.055 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 73' ' ' GLU . 54.6 t -65.81 -56.35 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 171.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.403 ' HB ' HG21 ' A' ' 120' ' ' VAL . 55.8 t -63.66 -37.44 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.659 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.01 -0.29 15.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.402 ' O ' HG22 ' A' ' 80' ' ' THR . 11.1 m -118.75 21.3 12.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.858 0.837 . . . . 0.0 110.242 178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.6 p -86.88 159.5 51.67 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.841 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -53.04 143.22 51.2 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.483 2.122 . . . . 0.0 111.821 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.49 -12.68 36.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.566 2.177 . . . . 0.0 112.16 -173.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -96.67 -2.69 44.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.875 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.1 m -133.91 0.53 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.615 -176.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -53.76 -48.33 69.84 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.036 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 p -62.07 -39.74 93.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.178 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.15 -47.99 72.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.044 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 31' ' ' VAL . 48.9 t -63.76 -43.14 97.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.952 0.406 . . . . 0.0 110.188 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.28 -51.35 70.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.412 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -57.6 -40.86 80.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.889 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.8 m -61.47 -57.51 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.46 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 93' ' ' ILE . 0.8 OUTLIER -58.84 -44.03 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.145 179.759 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.57 -35.06 71.3 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.564 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.22 -41.65 33.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.699 0.285 . . . . 0.0 110.559 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 79.7 m -58.03 -40.89 82.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.895 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 6.6 mp -56.93 -45.47 82.69 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.584 0.23 . . . . 0.0 111.486 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.401 HH11 ' HB3' ' A' ' 98' ' ' ARG . 1.9 ttp-105 -64.99 -44.56 88.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.167 -177.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 67.2 mm-40 -65.45 -49.46 69.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.823 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.6 m -54.7 -39.6 68.33 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.609 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.486 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 12.8 mmt -60.33 -45.85 91.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.785 0.326 . . . . 0.0 110.601 177.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 28.2 ttm -69.63 -33.39 72.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.324 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 13.0 mm100 -80.79 -16.91 52.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.775 0.322 . . . . 0.0 111.065 -178.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.66 -47.69 5.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.737 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.477 HG21 ' CG2' ' A' ' 8' ' ' ILE . 67.5 p -111.87 -20.92 11.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.908 0.385 . . . . 0.0 111.62 -174.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.22 3.04 70.16 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.1 p -142.67 153.98 43.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -177.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.486 ' HA ' ' HB3' ' A' ' 101' ' ' MET . 85.1 t -107.89 117.87 54.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.701 -176.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -87.95 125.57 34.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 170.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -96.76 -9.0 29.81 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.854 0.359 . . . . 0.0 110.533 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.3 -51.84 40.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.839 0.352 . . . . 0.0 110.271 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -65.95 -49.92 66.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.998 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.709 ' HA ' HD23 ' A' ' 97' ' ' LEU . 22.2 m -52.31 -46.26 65.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.481 -0.782 . . . . 0.0 112.033 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.474 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 52.4 t30 -67.86 -42.86 80.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.729 0.3 . . . . 0.0 110.625 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -57.07 -46.69 82.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.919 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.499 HG21 HD21 ' A' ' 97' ' ' LEU . 78.1 t -61.35 -35.05 63.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.996 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 13.8 mmt -69.92 -38.43 76.24 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 68.0 mm-40 -74.89 -34.61 62.21 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.346 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.06 -51.72 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.158 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.403 HG21 ' HB ' ' A' ' 78' ' ' VAL . 12.2 p -65.94 -34.62 71.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.348 -176.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -60.9 -54.45 44.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.098 0.475 . . . . 0.0 110.362 175.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.656 ' HE1' HD23 ' B' ' 119' ' ' LEU . 34.1 ttp -64.97 -42.87 94.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.712 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 49.9 tp -67.33 -30.78 70.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.507 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 121.301 0.572 . . . . 0.0 110.581 -178.911 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.577 ' HB ' HG21 ' B' ' 105' ' ' THR . 1.1 pp . . . . . 0 CA--C 1.531 0.244 0 CA-C-O 120.93 0.395 . . . . 0.0 111.502 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -81.58 88.1 6.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.439 0.638 . . . . 0.0 110.958 177.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.5 m -149.39 -50.79 0.15 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.537 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -89.64 117.21 67.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 171.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -66.48 -34.74 32.85 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.807 2.338 . . . . 0.0 112.609 -173.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -73.85 -34.89 64.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.835 0.35 . . . . 0.0 110.316 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.04 -48.27 71.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.11 93.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.637 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 50.8 ttm -59.78 -27.16 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.063 178.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.1 m -65.74 -41.08 92.63 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.229 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.449 ' HG3' ' SD ' ' B' ' 101' ' ' MET . 0.2 OUTLIER -62.66 -41.12 98.89 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.294 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -61.87 -42.68 99.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.811 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ASN . . . . . 0.425 ' O ' ' HG3' ' B' ' 24' ' ' GLN . 14.7 t-20 -73.17 -40.35 64.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.889 -176.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.18 -36.44 79.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.715 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.745 HD21 HD12 ' B' ' 97' ' ' LEU . 37.5 mt -58.47 -45.76 87.98 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.07 -36.27 77.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.466 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' B' ' 20' ' ' ASN . 69.7 mt-30 -63.78 -44.65 92.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.475 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' CYS . . . . . 0.426 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 30.9 p -77.98 -37.0 48.33 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.865 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.17 91.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.062 0.458 . . . . 0.0 110.742 176.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -65.19 -27.99 69.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.796 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 18.5 ptp180 -103.94 -6.26 21.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 31.2 p -86.59 -39.18 16.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.944 0.402 . . . . 0.0 110.098 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.49 17.82 76.57 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.671 176.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.422 HG22 HG22 ' B' ' 89' ' ' VAL . 10.2 p -88.93 -13.99 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.352 0.596 . . . . 0.0 109.871 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' B' ' 36' ' ' GLN . 5.6 mp -94.96 159.18 15.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.85 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 44.5 p -96.67 -176.8 3.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.95 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.47 97.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.527 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -57.71 -51.27 70.22 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.53 ' HB3' HD23 ' B' ' 32' ' ' LEU . 79.7 mt-30 -60.85 -50.91 71.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.934 -178.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 83.3 mmm -67.07 -35.29 79.5 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -72.86 -31.1 64.5 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.15 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' B' ' 42' ' ' MET . 25.8 t0 -69.49 -50.24 47.17 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 175.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.497 ' HG2' HG21 ' B' ' 77' ' ' VAL . 55.2 mmm -57.17 -43.01 82.21 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.732 176.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.94 -45.37 92.59 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.096 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.548 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 20.3 ptt? -73.01 -21.98 60.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.648 0.261 . . . . 0.0 110.499 -179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' MET . . . . . 0.518 ' O ' HG23 ' B' ' 47' ' ' VAL . 46.0 ttp -60.27 -57.68 11.77 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 173.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.2 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.185 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.548 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 20.9 t70 -56.88 -41.66 78.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.282 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.0 t -65.44 -48.18 73.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.283 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 43' ' ' MET . 24.3 t -57.18 -47.64 83.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 120.938 0.399 . . . . 0.0 110.003 178.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' B' ' 52' ' ' GLN . 4.5 m-20 -56.23 -51.19 69.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.609 175.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 22.3 t -59.55 -47.95 83.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.993 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -65.49 -36.75 84.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.987 -176.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 62.4 mmm -67.11 -40.81 86.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.919 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' B' ' 48' ' ' ASN . 51.7 mt-30 -69.3 -21.42 63.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.98 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -80.02 -34.71 38.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 75.0 mtm -86.05 -50.01 7.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 -177.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.2 -160.39 18.51 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.545 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.43 136.39 28.59 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.789 2.326 . . . . 0.0 112.551 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 63.91 73.21 0.48 Allowed Pre-proline 0 N--CA 1.467 0.401 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.969 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -85.04 172.05 8.86 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.833 2.355 . . . . 0.0 112.301 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.41 114.64 2.03 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.681 2.254 . . . . 0.0 111.691 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -63.56 -36.36 83.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -176.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' HIS . . . . . 0.578 ' O ' ' HB3' ' B' ' 64' ' ' ARG . 0.2 OUTLIER -71.06 -23.94 62.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.133 0.492 . . . . 0.0 110.146 -178.755 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.539 ' O ' ' HG2' ' B' ' 66' ' ' MET . 26.0 ttm180 -74.22 -33.24 63.31 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.68 -36.29 83.36 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.578 ' HB3' ' O ' ' B' ' 61' ' ' HIS . 20.8 ttp85 -55.82 -46.01 78.19 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.444 173.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.553 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -67.88 -41.26 83.04 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.784 179.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 96.0 mmm -61.77 -27.1 68.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.04 -178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -53.96 -52.04 61.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.433 174.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.544 HG21 ' HB3' ' A' ' 76' ' ' GLU . 15.9 m -67.68 -37.55 82.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.071 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.49 -52.15 66.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 0.0 110.77 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.8 ttt -60.01 -45.54 92.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.95 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.05 99.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.533 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.82 -37.5 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.468 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.59 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . 16.4 mt-10 -62.52 -44.17 97.03 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.05 178.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.44 ' O ' HG23 ' B' ' 78' ' ' VAL . 71.6 t -60.45 -41.53 87.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.033 0.444 . . . . 0.0 110.483 177.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.23 -48.41 73.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.5 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.59 ' HG2' ' HA ' ' B' ' 73' ' ' GLU . 6.5 pt-20 -63.26 -33.57 75.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.49 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.51 HG13 ' HB3' ' B' ' 36' ' ' GLN . 20.6 t -59.11 -54.28 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.369 174.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 74' ' ' VAL . 68.7 t -60.87 -42.81 94.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.329 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.44 -25.71 66.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.214 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 23.0 m -87.94 75.5 8.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.522 0.677 . . . . 0.0 110.221 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.498 ' HB3' ' NE2' ' B' ' 36' ' ' GLN . 57.3 p -157.54 163.54 24.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.142 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.31 147.07 95.59 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.083 1.855 . . . . 0.0 110.826 172.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.21 -21.94 67.21 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.177 1.918 . . . . 0.0 111.935 -173.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -81.15 -16.34 53.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.223 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.417 ' O ' HG23 ' B' ' 89' ' ' VAL . 32.1 m -114.36 -21.12 10.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.232 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -49.62 -47.54 49.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.812 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 7.2 t -63.21 -31.96 73.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.669 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.51 -44.36 35.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.569 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.422 HG22 HG22 ' B' ' 31' ' ' VAL . 44.2 t -60.36 -43.7 94.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.167 0.508 . . . . 0.0 109.883 177.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -57.58 -51.64 68.65 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.53 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.53 -37.83 82.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.181 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 58.1 m -63.29 -53.12 57.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.392 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.2 mm -62.49 -42.68 96.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.385 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.85 -36.47 87.39 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.386 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.5 -44.92 56.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.932 0.396 . . . . 0.0 110.15 175.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' CYS . . . . . 0.458 ' HB3' HD23 ' B' ' 22' ' ' LEU . 23.1 m -54.99 -41.13 70.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.0 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.745 HD12 HD21 ' B' ' 22' ' ' LEU . 1.9 mp -52.96 -49.1 66.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 111.703 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.458 ' HD3' HH11 ' B' ' 98' ' ' ARG . 13.3 ttt-85 -60.37 -51.55 69.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.23 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.42 -44.77 86.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.133 -177.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 66.3 m -55.35 -42.7 74.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.214 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.449 ' SD ' ' HG3' ' B' ' 18' ' ' MET . 17.5 mmt -63.58 -43.75 96.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.83 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 26.8 ttm -65.74 -35.81 81.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.354 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -86.31 -4.17 59.12 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.803 0.335 . . . . 0.0 111.459 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.22 -59.92 1.62 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.966 0.412 . . . . 0.0 111.167 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.577 HG21 ' HB ' ' B' ' 8' ' ' ILE . 57.8 p -99.83 -23.23 15.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.145 0.498 . . . . 0.0 111.079 -175.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 100.57 6.84 52.38 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.774 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 38.5 p -152.07 156.63 40.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.9 t -91.76 114.37 28.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.814 0.34 . . . . 0.0 111.051 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -86.21 137.34 32.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.784 173.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -97.9 -29.22 13.45 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.008 -176.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.75 -50.61 73.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.749 0.309 . . . . 0.0 111.416 -177.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.442 ' O ' HG23 ' B' ' 116' ' ' VAL . 79.4 t80 -69.19 -49.03 60.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.074 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.616 ' HA ' HD23 ' B' ' 97' ' ' LEU . 32.8 m -56.78 -43.16 80.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.181 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 114' ' ' ASN . . . . . 0.585 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 9.5 t30 -64.87 -48.64 73.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.174 178.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.22 -42.69 95.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.1 -173.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.55 ' HA ' HD12 ' B' ' 119' ' ' LEU . 63.9 t -59.6 -38.4 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.95 0.405 . . . . 0.0 111.162 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 11.2 mmt -69.04 -39.8 78.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.123 0.487 . . . . 0.0 110.028 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' B' ' 114' ' ' ASN . 51.8 mm-40 -71.15 -35.23 71.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.21 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.656 HD23 ' HE1' ' A' ' 122' ' ' MET . 13.6 mt -58.32 -49.08 78.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.051 177.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 120' ' ' VAL . . . . . 0.439 HG21 ' HB ' ' B' ' 78' ' ' VAL . 15.0 p -72.12 -32.42 43.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.908 0.385 . . . . 0.0 111.259 -176.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -65.19 -43.73 90.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.482 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -69.23 -40.83 77.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.947 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 42.3 tp -66.42 -32.46 73.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.064 0.459 . . . . 0.0 110.791 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 35.7 t -92.1 6.21 47.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.79 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.911 0.386 . . . . 0.0 110.877 -178.147 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 pp . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.57 0.224 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -70.15 89.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.685 0.755 . . . . 0.0 111.28 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.2 m -148.08 -44.46 0.16 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.784 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -101.12 120.72 54.37 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.797 173.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -71.81 -36.4 6.29 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.701 2.267 . . . . 0.0 112.606 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -67.94 -34.96 77.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.982 0.42 . . . . 0.0 110.586 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.57 -43.86 79.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.315 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.92 -35.64 80.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.698 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 50.3 ttm -61.2 -28.96 69.52 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.866 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.0 m -64.36 -39.99 94.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.815 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.448 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -63.66 -41.22 98.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.574 178.707 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -62.32 -45.53 92.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.662 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -68.8 -41.95 77.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.862 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -63.69 -34.0 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.39 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.72 HD21 HD12 ' A' ' 97' ' ' LEU . 23.8 mt -61.81 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.861 176.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.83 -44.49 99.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.879 0.371 . . . . 0.0 110.531 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.47 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 51.2 mt-30 -61.17 -43.41 98.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.105 0.478 . . . . 0.0 110.134 177.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.5 t -66.48 -38.4 87.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.258 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.8 -36.12 72.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.098 0.475 . . . . 0.0 110.62 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.8 t -66.57 -43.74 84.16 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.171 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.3 ptm180 -69.15 -39.15 78.99 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.236 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.514 ' HB2' HG23 ' A' ' 31' ' ' VAL . 28.0 p -67.71 -45.18 75.85 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.64 0.257 . . . . 0.0 110.58 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.84 6.56 85.55 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.799 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.514 HG23 ' HB2' ' A' ' 29' ' ' SER . 12.2 t -66.84 -29.23 45.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.478 0.656 . . . . 0.0 110.078 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.5 ' HB3' ' HB2' ' A' ' 36' ' ' GLN . 5.6 mp -90.78 149.36 22.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.141 -174.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.3 p -84.18 177.77 8.08 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.189 -177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.25 -30.96 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.483 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.17 -50.91 66.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.448 0.642 . . . . 0.0 109.433 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.62 ' HB3' HG13 ' A' ' 77' ' ' VAL . 49.0 mt-30 -65.09 -47.82 75.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.266 -178.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.08 -43.35 98.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.498 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.18 -37.13 86.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.439 . . . . 0.0 110.735 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.487 ' HB3' HG22 ' A' ' 77' ' ' VAL . 1.2 t70 -68.72 -44.53 73.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.336 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.436 ' O ' ' HB3' ' A' ' 43' ' ' MET . 93.7 mtp -61.82 -30.41 70.81 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.107 0.48 . . . . 0.0 110.378 176.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.85 -48.32 84.61 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.097 175.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.454 ' SD ' ' HD3' ' B' ' 62' ' ' ARG . 12.6 ptt? -73.37 -20.44 60.76 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.308 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.573 ' O ' HG23 ' A' ' 47' ' ' VAL . 48.7 ttp -59.99 -53.49 57.24 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -38.57 84.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.247 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.95 -45.93 91.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.251 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.0 p -62.32 -35.08 77.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.972 0.415 . . . . 0.0 111.192 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 43' ' ' MET . 28.3 t -65.72 -38.33 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.134 177.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -79.52 -40.18 30.24 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.089 -177.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.458 ' HB3' ' HE3' ' B' ' 53' ' ' LYS . 7.8 p -65.51 -28.0 68.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.625 ' HB3' ' HE2' ' A' ' 54' ' ' MET . 90.1 mt-30 -74.83 -29.45 61.07 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.255 173.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 93.1 mmm -70.31 -36.38 74.26 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.82 -178.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.411 ' HG2' ' HA ' ' A' ' 49' ' ' SER . 17.3 pt20 -72.07 -25.78 61.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.0 110.463 177.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -71.99 -53.31 13.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.096 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.625 ' HE2' ' HB3' ' A' ' 50' ' ' GLN . 55.9 mtm -89.93 -40.02 12.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.016 -171.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.2 -174.77 15.52 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -174.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.98 -1.81 11.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.814 2.342 . . . . 0.0 112.56 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -128.3 78.84 75.01 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.674 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.0 164.9 34.13 Favored 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 122.966 2.444 . . . . 0.0 112.114 171.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.554 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 36.5 Cg_endo -67.53 152.8 77.94 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.497 2.131 . . . . 0.0 111.744 175.103 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -58.12 -38.77 77.15 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.799 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.692 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 28.7 p80 -64.71 -25.1 67.79 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.781 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.554 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 2.9 tmt_? -69.91 -29.38 66.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 63' ' ' LEU . 4.1 mm? -68.9 -50.45 49.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.218 176.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.692 ' HG2' ' HA ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -65.66 -30.25 70.92 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.238 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.672 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -69.22 -52.64 25.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.318 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.497 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 98.0 mmm -64.98 -24.02 67.39 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.123 -176.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -55.04 -37.71 67.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.232 0.539 . . . . 0.0 109.97 172.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.597 HG22 ' HB1' ' B' ' 72' ' ' ALA . 8.0 m -89.84 -41.81 11.61 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.887 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.497 ' HB3' ' HA ' ' A' ' 66' ' ' MET . . . -57.61 -55.16 38.47 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -178.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.5 ttt -60.82 -41.32 95.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.998 0.427 . . . . 0.0 110.665 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.418 ' HB1' HG22 ' A' ' 116' ' ' VAL . . . -66.82 -43.65 83.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.26 -178.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.531 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -64.88 -35.86 82.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 77' ' ' VAL . 27.8 mm-40 -61.46 -50.88 70.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.717 175.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 78' ' ' VAL . 79.7 t -57.62 -43.02 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.348 . . . . 0.0 110.473 176.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.58 93.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 7.2 tp10 -59.49 -46.59 88.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.194 0.521 . . . . 0.0 110.061 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.62 HG13 ' HB3' ' A' ' 36' ' ' GLN . 54.5 t -56.48 -48.98 79.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.276 178.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 74' ' ' VAL . 91.1 t -65.38 -44.97 94.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.239 -178.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.76 -28.75 68.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.706 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 35.2 m -84.77 76.39 10.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.527 0.679 . . . . 0.0 110.633 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.8 p -160.8 170.45 8.46 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.029 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -58.36 138.62 86.82 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 121.863 1.708 . . . . 0.0 110.234 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.56 -16.32 54.58 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.112 1.875 . . . . 0.0 112.136 -172.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -88.56 -25.73 22.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.301 0.572 . . . . 0.0 110.63 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 89' ' ' VAL . 69.4 m -94.6 -15.18 24.28 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.332 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -51.81 -45.28 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.849 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -61.83 -42.34 98.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.259 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.04 77.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.022 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 85' ' ' SER . 59.1 t -63.42 -46.32 95.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.327 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.77 -49.83 75.29 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.186 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -56.49 -44.15 80.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.065 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.3 m -63.97 -52.78 58.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.879 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.438 HG23 HD13 ' A' ' 97' ' ' LEU . 1.3 mm -63.99 -47.51 90.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.774 178.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.58 -43.53 97.56 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.952 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.59 -35.78 70.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.837 0.351 . . . . 0.0 110.965 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.3 t -81.91 -20.19 39.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.555 -175.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.72 HD12 HD21 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -55.17 -44.26 75.04 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.425 0.631 . . . . 0.0 109.851 173.324 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.525 ' HG3' HG21 ' A' ' 108' ' ' VAL . 71.1 ttt-85 -61.77 -49.27 77.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.721 178.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 14.4 mm-40 -63.36 -49.17 74.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.715 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.2 m -55.03 -45.32 75.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.701 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.418 ' SD ' ' HG3' ' A' ' 18' ' ' MET . 11.8 mmt -60.63 -41.08 94.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.836 0.351 . . . . 0.0 110.859 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 31.3 ttm -70.15 -29.98 67.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.954 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 77.8 mm-40 -80.82 -28.53 36.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.017 0.436 . . . . 0.0 110.521 178.165 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.59 -50.32 10.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.802 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 44.0 p -109.29 -32.52 7.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 111.603 -175.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.51 -14.93 7.66 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.009 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.3 p -148.5 168.08 23.65 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.525 HG21 ' HG3' ' A' ' 98' ' ' ARG . 3.4 p -94.56 122.05 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.505 0.669 . . . . 0.0 112.122 -173.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -80.8 127.97 33.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.706 174.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -108.32 15.64 23.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.147 0.499 . . . . 0.0 110.756 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -96.5 -48.98 5.33 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.555 ' O ' HG23 ' A' ' 116' ' ' VAL . 88.3 t80 -70.53 -52.16 23.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.186 177.094 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.607 ' HA ' HD23 ' A' ' 97' ' ' LEU . 42.6 m -54.61 -42.65 71.4 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.304 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -69.33 -40.37 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.553 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -63.31 -42.44 99.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.813 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 112' ' ' PHE . 57.5 t -56.84 -38.14 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.278 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.1 mmt -69.56 -36.07 75.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.239 -175.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -76.18 -40.07 53.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.677 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.49 HD23 ' HE1' ' B' ' 122' ' ' MET . 14.7 mt -55.9 -45.24 78.71 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.002 178.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.0 p -74.22 -36.18 42.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.169 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.04 -44.02 98.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.983 0.421 . . . . 0.0 110.592 177.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.5 ttp -68.41 -36.71 79.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.917 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 36.7 tp -75.33 -22.0 57.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.001 0.429 . . . . 0.0 110.785 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 179.059 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 CA--C 1.532 0.275 0 CA-C-O 121.104 0.478 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 9' ' ' TRP . . . . . 0.529 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 79.5 m95 -90.24 17.41 7.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.48 -175.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.9 p -69.72 -31.59 69.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.378 0.609 . . . . 0.0 109.614 174.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -120.99 100.97 45.5 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.388 173.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' PRO . . . . . 0.424 ' HB3' HD11 ' B' ' 63' ' ' LEU . 32.6 Cg_endo -64.08 -32.85 63.6 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.351 2.701 . . . . 0.0 113.661 -168.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -71.52 -25.45 62.25 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.282 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.71 -35.09 45.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.429 . . . . 0.0 109.891 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.38 -36.71 83.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.868 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -62.26 -31.24 71.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.231 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 23.1 m -64.32 -36.46 84.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.203 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' MET . . . . . 1.036 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.9 -44.22 93.61 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.393 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -61.51 -43.47 98.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.714 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -65.9 -52.46 49.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.801 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -64.04 -27.78 69.34 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.41 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.579 HD11 HD12 ' B' ' 97' ' ' LEU . 13.5 tp -65.34 -34.24 77.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.228 0.537 . . . . 0.0 110.504 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.545 HG22 ' HB3' ' B' ' 40' ' ' MET . 58.7 t -76.72 -35.11 24.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.239 178.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -67.15 -40.8 86.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.964 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' CYS . . . . . 0.473 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 28.7 p -70.84 -30.05 66.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.042 0.449 . . . . 0.0 110.512 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.89 -37.44 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.28 0.562 . . . . 0.0 110.615 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 22.6 t -71.95 -34.55 69.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.732 -178.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.473 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 3.1 ptm180 -74.5 -33.83 62.92 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.774 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.501 ' HB2' HG23 ' B' ' 31' ' ' VAL . 14.2 p -72.16 -50.89 24.2 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.972 0.415 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.13 16.64 76.15 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.626 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.501 HG23 ' HB2' ' B' ' 29' ' ' SER . 14.4 t -72.9 -30.17 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.498 0.666 . . . . 0.0 109.887 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.451 ' N ' HD12 ' B' ' 32' ' ' LEU . 4.6 mp -88.09 158.52 18.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.499 -176.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 44.0 p -87.65 173.07 9.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.144 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.64 -38.55 91.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.802 0.334 . . . . 0.0 111.056 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.4 ' OD2' ' HB3' ' A' ' 61' ' ' HIS . 29.4 t70 -58.99 -45.37 90.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.12 177.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.641 ' HB3' HG13 ' B' ' 77' ' ' VAL . 24.6 mt-30 -68.56 -44.98 73.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.878 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 78.5 mmm -61.12 -41.99 97.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.226 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -65.54 -34.15 77.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.621 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.474 ' O ' ' HG2' ' B' ' 42' ' ' MET . 4.0 t70 -62.99 -45.9 90.24 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.231 0.539 . . . . 0.0 110.36 177.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.545 ' HB3' HG22 ' B' ' 23' ' ' VAL . 86.3 mtp -63.59 -34.46 77.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.536 177.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.69 -45.17 93.6 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.156 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' B' ' 39' ' ' ASP . 22.0 ptt? -70.84 -23.61 62.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.826 0.346 . . . . 0.0 110.179 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' MET . . . . . 0.48 ' HB3' ' O ' ' B' ' 40' ' ' MET . 52.5 ttp -60.34 -49.95 75.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.092 174.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.19 95.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -65.85 -42.05 90.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.711 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.5 p -60.01 -47.59 85.22 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.249 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 43' ' ' MET . 21.3 t -57.77 -44.26 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.406 0.622 . . . . 0.0 109.869 176.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.29 -45.6 90.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.782 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.519 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 24.0 m -68.87 -46.36 68.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.374 -177.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -59.78 -37.37 78.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.05 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 79.6 mmm -56.34 -48.47 76.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.501 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -70.64 -24.57 62.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.448 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' B' ' 49' ' ' SER . 3.0 mmmp? -67.53 -37.17 82.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.117 0.484 . . . . 0.0 110.297 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.4 mtm -94.92 -54.17 3.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.772 -173.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.04 -171.79 27.66 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.457 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.5 -40.13 50.05 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.984 2.456 . . . . 0.0 112.65 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -132.04 90.82 34.2 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.937 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.548 ' HG2' HD21 ' B' ' 63' ' ' LEU . 73.7 Cg_endo -75.78 163.44 33.63 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.732 2.288 . . . . 0.0 111.953 175.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.481 ' HG2' ' HD2' ' B' ' 62' ' ' ARG . 10.4 Cg_endo -55.66 122.49 11.84 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.753 2.302 . . . . 0.0 111.781 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLN . . . . . 0.56 ' HA ' HD23 ' B' ' 63' ' ' LEU . 15.3 mm100 -58.15 -26.44 62.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.57 -172.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' HIS . . . . . 0.514 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 3.8 p80 -65.08 -28.27 69.35 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.323 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.535 ' O ' ' HG2' ' B' ' 66' ' ' MET . 90.9 mtt180 -72.37 -27.09 62.16 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.56 HD23 ' HA ' ' B' ' 60' ' ' GLN . 3.8 mm? -70.93 -40.64 71.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.708 177.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 34.7 ptt180 -67.12 -28.33 68.06 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.129 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.479 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -72.96 -42.92 62.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.687 173.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.535 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 92.0 mmm -56.14 -30.67 62.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 177.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.442 ' HA ' ' CZ2' ' B' ' 9' ' ' TRP . 7.6 t30 -53.76 -45.38 70.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.43 174.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.531 HG22 ' HB1' ' A' ' 72' ' ' ALA . 24.5 m -73.69 -39.61 64.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.847 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.72 -52.9 63.13 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.34 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.7 ttt -59.22 -44.86 92.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.742 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.8 99.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.384 -178.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.597 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -67.44 -37.56 83.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.332 -178.133 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.48 ' O ' HG23 ' B' ' 77' ' ' VAL . 28.2 mm-40 -59.63 -49.73 76.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.76 176.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.506 ' O ' HG23 ' B' ' 78' ' ' VAL . 78.8 t -58.61 -44.36 89.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.679 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.79 -42.58 93.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.672 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 13.7 tp10 -61.72 -47.97 82.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.093 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.641 HG13 ' HB3' ' B' ' 36' ' ' GLN . 69.9 t -54.58 -47.08 72.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 178.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 74' ' ' VAL . 59.5 t -66.13 -45.49 90.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.694 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.5 -7.04 44.97 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 55.1 m -78.38 -30.35 47.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 110.942 178.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 73.3 p -71.63 152.97 93.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.056 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' PRO . . . . . 0.425 ' HB2' ' HG2' ' B' ' 84' ' ' GLN . 24.1 Cg_endo -64.36 160.61 38.23 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.474 2.116 . . . . 0.0 110.974 175.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -53.48 -34.29 71.38 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.569 2.18 . . . . 0.0 111.856 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' GLN . . . . . 0.425 ' HG2' ' HB2' ' B' ' 82' ' ' PRO . 10.9 pt20 -62.55 -32.03 72.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.553 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 23.9 m -105.9 -26.38 11.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.994 -175.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -49.95 -48.95 51.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.13 -176.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -63.48 -44.93 92.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.823 0.344 . . . . 0.0 110.95 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.06 -42.93 83.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.072 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 74.1 t -63.06 -46.42 96.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.183 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -56.85 -48.47 78.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.202 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -59.58 -42.41 92.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.971 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -65.39 -48.9 71.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.616 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.2 mm -64.81 -48.98 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.767 177.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.27 -43.63 84.32 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.83 -177.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' B' ' 99' ' ' GLU . . . -70.65 -38.67 73.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.882 0.372 . . . . 0.0 110.699 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 96' ' ' CYS . . . . . 0.477 ' SG ' HD12 ' B' ' 22' ' ' LEU . 46.6 t -66.3 -32.55 74.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.863 -176.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 1.036 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 6.2 mp -58.46 -39.61 80.38 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.024 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.549 ' HG3' HG21 ' B' ' 108' ' ' VAL . 69.0 ttt-85 -61.95 -48.33 80.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.246 176.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' B' ' 103' ' ' GLN . 4.3 mm-40 -64.24 -50.37 68.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.679 -177.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 72.5 m -57.63 -40.33 78.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.308 -175.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 16.1 mmt -63.73 -39.85 95.32 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.528 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 25.7 ttm -70.74 -25.38 62.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.655 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' B' ' 99' ' ' GLU . 73.6 mm-40 -85.71 -23.25 27.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.881 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.4 -54.56 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.772 -175.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 77.3 p -100.11 -26.05 14.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.148 0.499 . . . . 0.0 110.651 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 101.7 5.19 51.51 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -174.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 25.7 p -150.53 144.65 25.46 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.549 HG21 ' HG3' ' B' ' 98' ' ' ARG . 5.1 p -90.7 129.21 41.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.065 0.46 . . . . 0.0 110.707 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -98.71 140.5 32.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.01 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -95.62 -20.24 19.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.753 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.16 71.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.599 0.238 . . . . 0.0 111.124 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -70.42 -49.12 52.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.338 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.664 ' HA ' HD23 ' B' ' 97' ' ' LEU . 11.3 m -54.58 -45.15 73.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.987 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -67.04 -40.34 87.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.78 0.324 . . . . 0.0 110.775 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -56.54 -48.6 76.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.163 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.522 HG21 HD21 ' B' ' 97' ' ' LEU . 61.4 t -60.85 -35.07 62.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 29.8 mmt -68.55 -40.92 80.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.366 -178.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -68.65 -41.86 78.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.077 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 116' ' ' VAL . 17.8 mt -56.22 -53.23 59.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.564 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.57 -34.78 71.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.617 -172.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -66.95 -34.7 78.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.101 0.477 . . . . 0.0 110.487 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.49 ' HE1' HD23 ' A' ' 119' ' ' LEU . 39.7 ttp -79.0 -35.96 41.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.473 -177.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.52 HD21 HG21 ' A' ' 68' ' ' THR . 5.5 mp -60.93 -34.69 75.11 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.904 0.383 . . . . 0.0 111.974 -176.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 62.6 m -95.75 10.36 37.25 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.228 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 0.0 111.057 -179.355 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.451 ' CG2' HG21 ' A' ' 105' ' ' THR . 9.5 pt . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 120.844 0.354 . . . . 0.0 111.895 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.425 ' CE2' ' HA ' ' A' ' 67' ' ' ASN . 80.4 m95 -81.03 21.17 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.573 -177.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.2 p -78.83 -16.28 57.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.406 0.622 . . . . 0.0 109.565 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.49 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 42.7 m-80 -132.67 116.17 14.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.445 176.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -59.71 -41.07 58.69 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.85 2.367 . . . . 0.0 112.587 -176.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -77.22 -32.3 55.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.375 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 11' ' ' ASN . . . -67.23 -43.38 82.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.135 176.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.78 -41.25 92.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.363 176.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.0 ttm -57.59 -33.77 68.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.781 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.0 m -62.15 -39.88 94.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.272 177.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.891 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -63.94 -41.71 97.53 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.152 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.33 -47.75 84.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.689 178.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 94.3 m-20 -62.02 -46.32 89.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.794 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.53 -32.72 71.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.145 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 97' ' ' LEU . 29.5 mt -63.46 -45.79 89.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.623 0.249 . . . . 0.0 110.746 175.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.34 -40.86 89.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.183 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 75.8 mt-30 -59.82 -51.57 69.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.469 176.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.0 t -62.15 -37.34 84.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.039 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.467 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -71.9 -40.62 68.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.019 0.438 . . . . 0.0 111.3 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.0 t -67.71 -33.97 75.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.288 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 14.8 ptm180 -77.27 -36.93 53.92 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.059 178.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 p -68.66 -47.29 66.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.792 0.329 . . . . 0.0 110.693 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.96 23.61 77.75 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.345 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.9 p -86.59 -17.31 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.196 0.522 . . . . 0.0 110.102 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.467 HD13 ' HB1' ' A' ' 26' ' ' ALA . 5.3 mp -90.87 153.85 19.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.941 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.0 p -83.59 176.39 9.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.045 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.94 -37.46 87.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.87 0.367 . . . . 0.0 110.8 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.26 -61.41 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.388 0.613 . . . . 0.0 109.808 175.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.616 ' HB3' HG13 ' A' ' 77' ' ' VAL . 44.5 mt-30 -57.42 -46.28 83.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.842 -175.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 73.1 mmm -62.72 -38.15 89.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.139 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -78.28 -32.51 49.53 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.569 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.483 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 66.7 m-20 -69.62 -34.39 74.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.99 0.424 . . . . 0.0 109.965 175.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.44 ' O ' ' HB3' ' A' ' 43' ' ' MET . 46.6 mmm -60.56 -39.18 87.03 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.502 0.668 . . . . 0.0 109.856 171.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.52 -45.02 95.75 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.467 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.592 ' SD ' ' HG3' ' B' ' 62' ' ' ARG . 12.2 ptt? -71.15 -22.67 62.02 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 122.614 -0.345 . . . . 0.0 110.626 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.44 ' HB3' ' O ' ' A' ' 40' ' ' MET . 41.9 ttp -60.67 -53.9 51.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 174.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.75 -40.34 96.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.374 176.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.529 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 28.1 t70 -60.45 -41.39 94.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.413 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.2 t -60.18 -50.78 72.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.168 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.44 ' O ' ' HG2' ' A' ' 51' ' ' MET . 44.2 t -57.41 -42.54 80.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.038 0.447 . . . . 0.0 110.501 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -66.18 -54.13 29.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.132 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 16.5 p -64.07 -34.22 77.53 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -175.036 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.798 ' HB3' HH22 ' A' ' 62' ' ' ARG . 15.2 mm100 -62.06 -37.85 86.58 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.617 175.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 92.1 mmm -70.79 -32.08 69.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.433 178.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -65.37 -38.01 88.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.118 0.485 . . . . 0.0 110.163 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 49' ' ' SER . 40.8 mtmt -73.27 -12.42 60.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.346 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 69.0 mtm -115.68 -161.04 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.968 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.74 -140.19 4.13 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.737 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -79.16 130.46 9.29 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.878 2.386 . . . . 0.0 112.978 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 59.57 94.15 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.403 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.506 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -79.23 163.8 24.83 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.74 2.293 . . . . 0.0 111.871 175.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.49 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 18.5 Cg_endo -61.31 139.34 82.44 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.731 2.288 . . . . 0.0 112.453 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -62.27 -42.78 99.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.885 -176.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.435 ' CE1' ' HB3' ' B' ' 38' ' ' ASP . 20.5 p80 -59.3 -30.23 68.18 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.138 0.494 . . . . 0.0 110.268 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.798 HH22 ' HB3' ' A' ' 50' ' ' GLN . 67.5 ttt-85 -74.49 -41.59 60.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.142 -177.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.02 -38.48 91.24 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 174.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 64' ' ' ARG . 30.6 ttp180 -57.06 -40.92 77.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.47 174.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.96 67.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.439 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 91.1 mmm -58.34 -31.83 67.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.749 -177.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.425 ' HA ' ' CE2' ' A' ' 9' ' ' TRP . 26.4 t-20 -50.05 -56.73 9.63 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.476 0.485 . . . . 0.0 111.577 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.4 m -71.74 -28.47 63.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.443 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.26 -52.29 65.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 110.672 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.8 ttt -64.4 -40.94 96.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.691 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.2 75.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.424 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.14 -34.41 76.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 -177.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.83 -55.93 28.1 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 123.08 0.238 . . . . 0.0 110.867 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 78' ' ' VAL . 53.5 t -56.19 -44.04 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.026 0.441 . . . . 0.0 110.643 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.31 -50.35 73.96 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.808 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.542 ' HB3' HG21 ' B' ' 68' ' ' THR . 3.1 pp20? -68.85 -28.82 67.06 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.604 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.616 HG13 ' HB3' ' A' ' 36' ' ' GLN . 24.3 t -61.41 -46.93 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 172.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 74' ' ' VAL . 95.4 t -63.22 -39.67 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.777 0.322 . . . . 0.0 110.544 176.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.81 2.89 9.08 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.89 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.42 ' HB ' ' HG2' ' A' ' 36' ' ' GLN . 40.4 m -86.7 -13.05 46.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.473 0.654 . . . . 0.0 109.775 174.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.418 ' HB2' ' HA ' ' A' ' 86' ' ' TYR . 3.2 m -73.2 145.55 85.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.684 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.8 155.92 60.9 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.111 1.874 . . . . 0.0 109.664 170.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -56.85 -35.85 98.49 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.372 2.048 . . . . 0.0 112.098 -172.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -69.32 -18.72 63.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.188 -0.914 . . . . 0.0 112.291 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 t -119.33 -3.5 10.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.963 0.411 . . . . 0.0 110.64 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.418 ' HA ' ' HB2' ' A' ' 81' ' ' SER . 38.4 t80 -60.97 -47.79 84.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.191 -177.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -62.82 -41.06 99.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.75 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.14 -49.48 77.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 81.5 t -65.44 -42.39 93.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.48 -52.32 66.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.453 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -57.73 -38.76 75.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.763 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.0 m -63.04 -59.24 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.626 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.481 ' HA ' HD13 ' A' ' 93' ' ' ILE . 0.7 OUTLIER -58.41 -44.15 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 -178.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.46 -41.4 88.26 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.084 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.73 -40.34 72.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.716 0.293 . . . . 0.0 110.841 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.6 m -59.32 -44.05 92.61 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.024 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.891 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 7.6 mp -54.07 -44.12 70.87 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.712 0.291 . . . . 0.0 111.551 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -60.16 -49.17 78.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.128 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -72.9 -42.03 64.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.08 -176.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.3 m -58.4 -35.89 72.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.038 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.415 ' HB3' ' O ' ' A' ' 107' ' ' SER . 9.7 mmt -64.27 -44.33 92.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.805 177.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 29.7 ttm -69.61 -30.07 67.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -80.39 -13.26 59.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.791 0.329 . . . . 0.0 110.922 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.46 -57.95 2.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.784 0.326 . . . . 0.0 111.227 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.451 HG21 ' CG2' ' A' ' 8' ' ' ILE . 82.5 p -109.79 -18.77 13.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.035 0.445 . . . . 0.0 111.293 -175.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.61 5.0 65.26 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.429 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 101' ' ' MET . 32.1 p -141.72 149.99 41.22 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.2 t -96.78 111.84 27.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.765 0.317 . . . . 0.0 110.678 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -81.82 124.85 30.03 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -89.66 -27.61 20.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.976 -175.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.78 -48.39 81.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.794 0.331 . . . . 0.0 110.94 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -69.48 -52.82 23.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.386 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.778 ' HA ' HD23 ' A' ' 97' ' ' LEU . 23.6 m -53.92 -43.45 69.76 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.9 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.551 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 56.9 t30 -69.48 -42.34 74.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.613 0.244 . . . . 0.0 110.754 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.98 -43.58 95.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.95 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' A' ' 119' ' ' LEU . 90.8 t -59.34 -36.62 64.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 120.883 0.373 . . . . 0.0 110.777 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.413 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 27.2 mmt -69.89 -31.77 69.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.21 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 25.7 mm-40 -78.51 -42.14 30.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.275 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.546 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 13.9 mt -54.92 -51.76 65.04 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.734 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.19 -39.27 84.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.609 -174.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 117' ' ' MET . 55.3 mtpt -62.56 -41.8 99.15 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 110.745 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.422 ' HE1' HD23 ' B' ' 119' ' ' LEU . 45.6 ttp -67.68 -39.94 84.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.709 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 91.4 mt -66.85 -40.83 88.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.1 t . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -177.814 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.429 ' CG2' HG21 ' B' ' 105' ' ' THR . 27.2 pt . . . . . 0 N--CA 1.463 0.207 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -81.3 46.85 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.142 0.496 . . . . 0.0 111.736 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.5 p -91.22 -21.68 21.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.347 0.594 . . . . 0.0 109.74 172.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.471 ' HA ' ' HD3' ' B' ' 12' ' ' PRO . 45.9 m-80 -133.8 132.36 21.54 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.533 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 11' ' ' ASN . 16.6 Cg_exo -64.26 -50.02 3.13 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.794 2.329 . . . . 0.0 112.812 -173.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -74.07 -27.71 61.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.736 -175.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.73 -45.43 78.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.993 0.425 . . . . 0.0 110.446 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.14 -34.21 70.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.052 0.453 . . . . 0.0 110.396 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 46.1 ttm -55.34 -31.89 62.09 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.457 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 48.1 m -62.59 -34.83 77.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.967 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.793 ' HE2' ' HG ' ' B' ' 97' ' ' LEU . 7.5 ttt -65.84 -43.66 87.82 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 175.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -44.85 94.35 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.957 -178.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -68.52 -42.71 78.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -64.9 -29.58 70.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.223 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 18' ' ' MET . 37.5 mt -63.19 -45.74 90.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.747 0.308 . . . . 0.0 110.651 175.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.19 -41.12 91.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.123 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -62.84 -42.74 99.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.542 176.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' CYS . . . . . 0.589 ' HA ' ' CD ' ' B' ' 28' ' ' ARG . 34.3 t -66.79 -36.59 82.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.05 0.452 . . . . 0.0 110.783 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.501 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -70.47 -38.23 74.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.255 0.55 . . . . 0.0 110.987 176.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 32.8 t -71.8 -31.81 66.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.866 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.589 ' CD ' ' HA ' ' B' ' 25' ' ' CYS . 1.8 ptm180 -81.1 -19.76 42.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.729 0.3 . . . . 0.0 110.7 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.6 p -88.51 -48.42 7.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.821 0.343 . . . . 0.0 110.734 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.0 20.15 73.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.708 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.559 HG13 HD12 ' B' ' 32' ' ' LEU . 10.7 p -86.8 -21.08 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.979 0.419 . . . . 0.0 110.583 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.649 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.9 mp -86.22 152.71 22.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.329 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 80.7 p -90.65 178.29 6.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.407 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.37 -30.52 68.47 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.028 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.62 -64.51 0.92 Allowed 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.772 0.796 . . . . 0.0 109.195 173.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.649 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 40.8 mt-30 -61.25 -41.37 96.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 113.975 -1.466 . . . . 0.0 111.978 -171.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 82.8 mmm -65.89 -33.06 74.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -176.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.435 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 33.9 t70 -78.76 -36.49 42.96 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.21 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.481 ' HA ' ' HG2' ' B' ' 42' ' ' MET . 67.6 m-20 -66.2 -40.64 90.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.929 176.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.621 ' HG2' HG11 ' B' ' 77' ' ' VAL . 61.1 mmm -60.98 -41.67 96.91 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.192 0.52 . . . . 0.0 110.097 172.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.8 -49.15 78.92 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.192 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.599 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 12.8 ptt? -70.42 -20.98 62.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.106 -0.237 . . . . 0.0 110.881 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' MET . . . . . 0.418 ' HB3' ' O ' ' B' ' 40' ' ' MET . 45.3 ttp -62.3 -53.41 55.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 173.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.3 98.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.754 175.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.599 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 21.2 t70 -54.74 -43.02 72.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.346 177.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 32.4 t -60.47 -48.71 80.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.636 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 43' ' ' MET . 21.3 t -62.48 -46.48 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.591 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -62.04 -48.33 80.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.121 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.442 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 49.7 p -66.26 -37.0 84.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.14 -175.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -61.77 -31.55 71.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.522 0.201 . . . . 0.0 111.25 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' MET . . . . . 0.429 ' SD ' ' HB2' ' B' ' 12' ' ' PRO . 37.2 mtp -72.56 -26.65 61.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 176.057 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -86.15 -27.47 24.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 49' ' ' SER . 6.5 mmmm -63.79 -39.17 93.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.485 173.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 63.3 mtm -92.44 178.37 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.03 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -118.42 -138.71 5.97 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 176.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.78 147.92 31.7 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.384 2.056 . . . . 0.0 112.191 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 64.47 89.39 0.1 Allowed Pre-proline 0 N--CA 1.466 0.372 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.359 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -86.28 158.53 9.7 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.873 2.382 . . . . 0.0 112.837 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.471 ' HG2' ' CB ' ' B' ' 62' ' ' ARG . 67.4 Cg_endo -76.55 136.81 17.74 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 123.472 2.782 . . . . 0.0 112.638 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -70.59 -39.34 73.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.455 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' HIS . . . . . 0.472 ' HD1' ' CG ' ' A' ' 39' ' ' ASP . 22.6 p80 -62.33 -28.11 69.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.603 0.24 . . . . 0.0 110.915 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.592 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 14.9 ttm180 -70.94 -37.41 72.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.21 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.44 -37.94 89.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -60.99 -39.1 88.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.906 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.2 -46.67 40.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.143 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 94.6 mmm -59.73 -31.78 69.94 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.313 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -50.82 -54.19 25.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.165 0.507 . . . . 0.0 110.645 175.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.542 HG21 ' HB3' ' A' ' 76' ' ' GLU . 8.0 m -74.78 -30.88 61.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.868 -177.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -59.82 -56.95 15.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.383 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.7 ttt -57.74 -44.03 85.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.044 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.81 92.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.382 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.435 ' HA ' HD13 ' B' ' 119' ' ' LEU . . . -70.94 -33.94 70.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.093 -178.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 44.3 mt-10 -61.38 -52.13 65.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.622 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.482 ' O ' HG23 ' B' ' 78' ' ' VAL . 52.3 t -54.52 -44.91 70.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.109 0.48 . . . . 0.0 110.592 176.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.22 -48.15 82.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.757 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -69.52 -28.38 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.728 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.621 HG11 ' HG2' ' B' ' 40' ' ' MET . 35.2 t -62.08 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 173.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 74' ' ' VAL . 61.0 t -62.88 -40.18 87.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.081 0.467 . . . . 0.0 110.507 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.23 -4.19 27.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.841 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 87.2 m -80.57 -28.83 37.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 110.964 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' B' ' 82' ' ' PRO . 31.3 p -74.5 148.8 85.96 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.964 -178.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 81' ' ' SER . 33.3 Cg_exo -60.06 162.07 17.53 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.203 2.602 . . . . 0.0 111.86 178.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -52.21 -41.1 67.63 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.941 2.427 . . . . 0.0 113.109 -172.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -71.39 -17.27 62.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.49 -175.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 25.9 t -112.33 -8.83 13.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.717 0.294 . . . . 0.0 110.641 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -56.79 -56.53 20.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.731 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -65.54 -35.67 81.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.622 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.1 -47.92 82.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.912 0.387 . . . . 0.0 111.07 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 88.1 t -67.4 -41.95 86.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.092 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -58.49 -50.43 73.77 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.657 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -56.48 -40.77 75.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.579 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.1 m -66.54 -54.05 27.99 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.692 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -59.05 -41.92 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.995 179.567 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.01 -39.57 79.7 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.332 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.83 -37.2 56.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.956 0.408 . . . . 0.0 110.475 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 87.4 m -60.97 -38.33 85.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.605 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.793 ' HG ' ' HE2' ' B' ' 18' ' ' MET . 7.9 mp -60.54 -44.14 96.42 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.811 177.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.482 ' HG3' HG11 ' B' ' 108' ' ' VAL . 42.8 ttt180 -59.75 -47.5 85.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.581 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -65.51 -50.87 63.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.225 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.3 m -55.06 -41.22 71.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.571 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.472 ' HB3' ' O ' ' B' ' 107' ' ' SER . 11.5 mmt -60.26 -45.33 93.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.027 0.441 . . . . 0.0 110.69 177.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 23.2 ttm -66.61 -32.96 74.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.228 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -81.39 -22.29 38.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.845 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.78 -64.32 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.901 0.381 . . . . 0.0 111.255 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.429 HG21 ' CG2' ' B' ' 8' ' ' ILE . 63.5 p -97.6 -31.76 12.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.438 -176.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.01 7.27 38.59 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -174.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' SER . . . . . 0.472 ' O ' ' HB3' ' B' ' 101' ' ' MET . 14.0 p -143.05 150.0 38.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.482 HG11 ' HG3' ' B' ' 98' ' ' ARG . 64.1 t -97.56 110.3 25.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.708 0.29 . . . . 0.0 110.806 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -78.82 133.44 37.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.953 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.46 -31.78 15.14 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.078 -177.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.5 63.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.787 0.327 . . . . 0.0 111.417 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -68.1 -49.09 63.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.321 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.732 ' HA ' HD23 ' B' ' 97' ' ' LEU . 22.9 m -58.7 -36.21 73.87 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.773 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -73.79 -41.21 62.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.6 0.238 . . . . 0.0 110.883 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.82 -44.69 93.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -176.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.522 HG21 HD21 ' B' ' 97' ' ' LEU . 69.3 t -60.89 -35.59 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.834 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 28.5 mmt -69.2 -28.6 66.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.69 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -80.41 -44.72 18.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.886 0.374 . . . . 0.0 110.258 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' B' ' 116' ' ' VAL . 16.5 mt -55.07 -48.94 72.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.062 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 8.4 p -66.05 -41.21 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.052 -174.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -68.45 -34.54 76.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.905 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.487 ' HE1' HD23 ' A' ' 119' ' ' LEU . 45.7 ttp -69.52 -38.34 77.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.46 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' B' ' 119' ' ' LEU . 92.1 mt -70.68 -24.01 62.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.169 0.509 . . . . 0.0 110.811 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 46.0 m -103.24 10.15 37.8 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.045 -178.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 121.373 0.606 . . . . 0.0 111.319 -176.592 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 15' ' ' ALA . 5.6 pt . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 120.889 0.376 . . . . 0.0 111.425 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -82.49 25.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.623 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.1 t -75.7 -21.36 57.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 171.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -134.9 114.0 11.79 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.177 -0.919 . . . . 0.0 108.561 171.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -65.28 -28.49 55.36 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.807 2.338 . . . . 0.0 112.628 -174.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -72.28 -37.94 68.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.752 0.311 . . . . 0.0 110.222 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.14 82.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.118 0.485 . . . . 0.0 110.164 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.449 ' HA ' ' CD1' ' A' ' 8' ' ' ILE . . . -64.97 -41.76 95.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.107 175.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 46.8 ttm -63.02 -28.95 70.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.559 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.6 m -62.34 -40.69 97.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.931 176.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.871 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -63.51 -41.42 98.52 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.105 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.52 -44.78 95.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.054 178.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -72.37 -37.19 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.338 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -62.05 -36.28 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.83 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.5 mt -59.34 -45.12 92.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.708 0.289 . . . . 0.0 110.919 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.8 t -62.91 -41.88 94.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.519 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -67.17 -36.15 81.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.893 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.539 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 39.4 t -68.57 -37.91 80.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.248 0.546 . . . . 0.0 110.335 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.87 -34.39 73.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.772 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.7 t -72.13 -35.82 69.22 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.054 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.539 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 3.5 ptp180 -75.23 -27.85 59.67 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.93 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.439 ' HB2' HG23 ' A' ' 31' ' ' VAL . 28.5 p -81.89 -54.69 5.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.635 0.255 . . . . 0.0 110.555 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.25 28.36 60.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.66 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 ' HB2' ' A' ' 29' ' ' SER . 12.2 t -81.83 -22.32 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.481 0.658 . . . . 0.0 109.92 177.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 32' ' ' LEU . 4.5 mp -94.68 158.7 15.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.517 -175.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.5 p -82.99 172.82 12.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.529 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.96 98.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.629 0.252 . . . . 0.0 111.409 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.89 -37.28 86.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 0.0 110.338 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -69.73 -40.34 76.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.714 177.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 82.9 mmm -66.44 -40.22 89.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.08 0.467 . . . . 0.0 110.843 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.61 -30.51 69.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.022 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -65.36 -46.57 79.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.62 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.55 ' O ' ' HB3' ' A' ' 43' ' ' MET . 89.0 mtp -66.93 -33.16 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.394 176.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.39 -46.63 93.47 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.164 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.515 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 11.7 ptt? -75.88 -15.3 60.23 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.303 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.55 ' HB3' ' O ' ' A' ' 40' ' ' MET . 47.7 ttp -62.0 -51.63 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 171.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.78 84.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.057 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.515 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 19.4 t70 -61.62 -48.06 82.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.706 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 p -64.68 -32.61 74.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 111.416 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 43' ' ' MET . 45.9 t -70.02 -42.16 79.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.942 0.401 . . . . 0.0 110.295 174.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -72.66 -42.1 64.7 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.381 -174.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 8.3 p -62.21 -38.46 89.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -175.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.54 ' HB2' ' NH2' ' A' ' 62' ' ' ARG . 48.0 mt-30 -68.04 -28.28 67.25 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.774 178.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 91.0 mmm -67.64 -31.56 71.64 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 176.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -77.02 -24.57 52.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.033 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.455 ' HE3' ' HB3' ' B' ' 49' ' ' SER . 7.8 mtpm? -78.15 -17.9 56.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.734 175.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 69.4 mtm -113.77 -164.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.501 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -138.4 -153.28 6.17 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.863 -0.685 . . . . 0.0 112.292 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.44 129.97 26.91 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 123.125 2.55 . . . . 0.0 112.366 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.9 t30 54.56 80.55 0.29 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.247 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -68.15 161.7 43.31 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.784 2.323 . . . . 0.0 111.646 175.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.455 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 14.4 Cg_endo -57.42 118.61 5.51 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.574 2.182 . . . . 0.0 111.472 177.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.411 ' HA ' HD13 ' A' ' 63' ' ' LEU . 85.7 mm-40 -58.7 -29.62 66.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.83 -174.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.828 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 9.6 p80 -67.62 -26.83 66.44 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.127 0.489 . . . . 0.0 110.562 178.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.614 ' O ' ' HG2' ' A' ' 66' ' ' MET . 3.2 tmt_? -67.28 -34.96 78.5 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 173.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 60' ' ' GLN . 9.6 mp -69.9 -37.14 75.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.156 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.828 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 32.8 ptt180 -63.3 -39.74 95.43 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.21 84.15 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.821 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.614 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 97.1 mmm -69.18 -28.96 66.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.208 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -58.36 -48.58 80.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.135 0.493 . . . . 0.0 110.041 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.537 HG22 ' HB1' ' B' ' 72' ' ' ALA . 11.6 m -71.11 -36.41 72.15 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.709 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -62.59 -55.2 29.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.185 178.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.9 ttt -55.74 -44.48 77.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.103 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.98 98.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.087 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.562 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -72.55 -32.1 65.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.263 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.564 ' O ' HG23 ' A' ' 77' ' ' VAL . 49.1 mt-10 -62.2 -48.3 80.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.401 177.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.41 -45.39 93.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.998 0.428 . . . . 0.0 110.648 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.404 ' HB1' ' HA ' ' A' ' 120' ' ' VAL . . . -59.94 -40.95 90.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.698 179.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.619 ' HG3' ' HA ' ' B' ' 65' ' ' ALA . 1.3 tm-20 -58.46 -49.09 78.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.58 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 73' ' ' GLU . 78.3 t -56.61 -47.45 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.427 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.89 -37.58 68.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.777 -176.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.44 -16.46 63.49 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -174.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.2 m -83.0 -7.26 59.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.119 0.485 . . . . 0.0 111.234 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.3 m -68.63 153.64 95.57 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.683 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.584 ' HD2' ' HB3' ' A' ' 85' ' ' SER . 44.9 Cg_exo -57.72 161.75 11.96 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.976 2.451 . . . . 0.0 111.22 177.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -61.51 -33.93 86.6 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.149 1.899 . . . . 0.0 111.865 -171.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -90.55 -24.6 20.56 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.733 -176.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.584 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 19.7 t -92.69 -16.93 24.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.241 0.543 . . . . 0.0 110.222 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -54.24 -46.11 72.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.195 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.6 t -64.43 -37.11 86.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.02 -50.2 62.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.952 0.406 . . . . 0.0 110.749 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 63.9 t -62.4 -42.3 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.457 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.73 -49.42 77.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.623 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -59.33 -37.6 78.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.533 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.4 m -64.96 -55.22 20.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.745 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 93' ' ' ILE . 0.8 OUTLIER -61.13 -41.91 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.986 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.75 -41.06 82.08 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.379 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.84 -38.66 67.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.76 0.314 . . . . 0.0 110.612 177.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 99.0 m -59.17 -44.59 92.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.558 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.871 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 8.5 mp -55.2 -41.23 71.69 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.665 0.269 . . . . 0.0 111.577 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.568 ' HG3' HG21 ' A' ' 108' ' ' VAL . 54.4 ttt-85 -62.5 -53.63 51.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.858 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -65.79 -45.73 81.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.871 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.8 m -57.92 -37.3 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.671 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.549 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 10.3 mmt -64.37 -44.76 90.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.772 0.32 . . . . 0.0 110.432 177.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 26.3 ttm -68.12 -31.8 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.058 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -82.57 -13.68 56.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.821 0.344 . . . . 0.0 110.895 177.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.01 -65.26 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.045 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 76.4 p -95.03 -22.0 18.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.057 0.456 . . . . 0.0 111.263 -175.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 102.61 -1.15 49.21 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.4 -175.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.0 m -146.03 157.47 43.86 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.568 HG21 ' HG3' ' A' ' 98' ' ' ARG . 7.6 p -107.33 125.39 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.491 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -87.84 146.49 25.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.769 173.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -105.08 -15.35 15.11 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.236 -177.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.17 -51.8 41.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.655 0.264 . . . . 0.0 110.595 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -66.04 -48.73 70.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.068 0.461 . . . . 0.0 109.946 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.741 ' HA ' HD23 ' A' ' 97' ' ' LEU . 12.1 m -54.33 -44.81 72.38 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.677 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -69.51 -41.62 75.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.333 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -59.24 -45.17 91.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.524 HG21 HD21 ' A' ' 97' ' ' LEU . 67.6 t -61.16 -37.94 78.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.719 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 24.6 mmt -63.26 -34.85 78.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.769 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -73.74 -45.93 48.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.053 0.454 . . . . 0.0 110.161 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 13.6 mt -55.05 -52.9 61.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.553 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.404 ' HA ' ' HB1' ' A' ' 75' ' ' ALA . 13.5 p -63.12 -35.56 72.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.802 -173.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -75.32 -36.85 61.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.768 0.318 . . . . 0.0 110.458 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 37.0 ttp -68.58 -36.2 78.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.372 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 84.0 mt -62.59 -22.03 66.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.823 0.344 . . . . 0.0 111.246 -178.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.324 -0.513 0 CA-C-O 120.935 0.398 . . . . 0.0 110.201 -179.866 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.577 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.6 pp . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -72.63 83.07 1.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.846 0.832 . . . . 0.0 111.271 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.8 m -150.08 -34.68 0.17 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.368 174.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.528 ' HB2' ' HB3' ' B' ' 14' ' ' ALA . 58.6 m-20 -95.31 109.6 45.98 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.694 173.275 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.32 -45.18 15.88 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.573 2.182 . . . . 0.0 113.233 -170.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -79.88 -25.77 40.53 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.779 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' B' ' 11' ' ' ASN . . . -67.71 -41.64 83.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.953 0.406 . . . . 0.0 109.94 173.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.04 -37.94 87.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.226 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 42.3 ttm -64.17 -28.56 69.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.728 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.5 m -63.46 -36.72 84.67 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 176.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' MET . . . . . 1.054 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -64.39 -45.66 86.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.068 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.79 -42.4 93.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.538 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -65.63 -50.04 66.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.485 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.15 -33.59 72.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.374 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.419 HD21 ' HA ' ' B' ' 97' ' ' LEU . 24.8 mt -59.29 -51.4 70.12 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.64 0.257 . . . . 0.0 110.439 175.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.34 -43.92 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.602 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 45.9 mt-30 -59.74 -49.17 78.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.719 0.295 . . . . 0.0 110.577 177.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 37.7 t -62.89 -42.75 99.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -178.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.15 -38.54 82.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.173 0.511 . . . . 0.0 111.354 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 26.1 t -70.38 -39.15 74.73 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.951 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 16.0 ptp180 -83.27 -17.43 42.63 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.453 -178.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 26.4 p -79.1 -39.98 32.31 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 171.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.42 27.53 71.27 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.637 174.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 t -84.51 -22.22 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.444 0.64 . . . . 0.0 109.528 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.445 ' N ' HD12 ' B' ' 32' ' ' LEU . 5.0 mp -100.98 153.5 19.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.238 -177.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 63.3 p -84.29 170.61 13.5 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.249 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.06 -29.19 70.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.871 0.367 . . . . 0.0 110.705 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -59.45 -53.8 53.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.391 174.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.572 ' HB3' HG13 ' B' ' 77' ' ' VAL . 51.8 mt-30 -65.1 -43.99 90.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.127 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 80.3 mmm -64.02 -31.57 72.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.657 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.503 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 2.5 t70 -74.13 -35.31 64.1 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -48.36 77.18 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.936 171.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.421 ' O ' ' HB3' ' B' ' 43' ' ' MET . 89.3 mtp -66.41 -36.79 83.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.139 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.41 -44.19 97.98 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.624 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -64.15 -33.81 76.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.962 0.41 . . . . 0.0 110.548 176.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' MET . . . . . 0.456 ' O ' HG23 ' B' ' 47' ' ' VAL . 42.8 ttp -58.8 -47.31 85.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.503 177.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.88 94.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.467 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.12 -39.51 82.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.898 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.7 p -65.77 -36.22 82.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 43' ' ' MET . 43.1 t -69.19 -39.13 78.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.168 0.508 . . . . 0.0 109.881 173.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -69.36 -47.93 62.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.304 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.455 ' HB3' ' HE3' ' A' ' 53' ' ' LYS . 7.0 p -59.13 -43.54 92.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.74 -173.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.571 ' HB2' ' NH2' ' B' ' 62' ' ' ARG . 48.3 mt-30 -64.39 -26.35 68.42 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.92 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 83.5 mmm -74.31 -26.5 60.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.896 0.379 . . . . 0.0 110.624 178.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -80.15 -31.6 38.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.29 0.567 . . . . 0.0 109.544 175.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -73.88 -32.86 63.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.392 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 73.0 mtm -91.29 178.81 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.397 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.27 -138.87 4.67 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.196 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.0 126.17 13.48 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.62 2.213 . . . . 0.0 112.56 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 60.64 89.59 0.1 Allowed Pre-proline 0 N--CA 1.467 0.423 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.93 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.69 163.84 31.09 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.96 2.44 . . . . 0.0 111.699 176.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' B' ' 62' ' ' ARG . 20.6 Cg_endo -63.01 135.64 52.38 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.396 2.064 . . . . 0.0 112.007 177.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -60.29 -36.44 77.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.796 -176.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' HIS . . . . . 0.829 ' HA ' ' HG2' ' B' ' 64' ' ' ARG . 13.8 p80 -65.66 -21.78 66.58 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.116 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.571 ' NH2' ' HB2' ' B' ' 50' ' ' GLN . 2.3 tmt_? -65.32 -33.98 77.26 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 94.3 mt -74.06 -42.2 60.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.84 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.829 ' HG2' ' HA ' ' B' ' 61' ' ' HIS . 39.2 ptt85 -66.45 -33.32 75.43 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.409 -178.003 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.619 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . . . -76.63 -45.83 28.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 98.8 mmm -65.58 -24.28 67.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.427 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -54.63 -55.99 23.77 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.547 172.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.562 HG22 ' HB1' ' A' ' 72' ' ' ALA . 17.0 m -72.15 -34.24 68.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.791 -178.226 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -61.06 -55.33 33.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.793 178.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 18.8 ttt -55.89 -45.46 78.6 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.954 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.82 99.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.28 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.537 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -68.78 -38.04 79.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.453 -178.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.536 ' O ' HG23 ' B' ' 77' ' ' VAL . 49.0 mt-10 -62.82 -45.26 93.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.456 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.45 ' O ' HG23 ' B' ' 78' ' ' VAL . 51.3 t -59.65 -43.81 92.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.664 0.269 . . . . 0.0 110.639 175.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.41 95.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.04 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -59.28 -47.94 83.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.934 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.572 HG13 ' HB3' ' B' ' 36' ' ' GLN . 97.5 t -60.02 -43.16 91.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.485 -179.152 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 74' ' ' VAL . 69.5 t -69.9 -42.61 79.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.116 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.51 91.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.2 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 24.5 m -79.46 76.14 6.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.33 0.585 . . . . 0.0 110.575 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 77.8 p -154.65 161.42 29.42 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.61 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.79 139.61 86.26 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.121 1.881 . . . . 0.0 111.0 175.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.97 -19.65 66.74 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.585 2.19 . . . . 0.0 112.273 -173.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' GLN . . . . . 0.445 ' NE2' ' HB2' ' B' ' 85' ' ' SER . 4.7 pp0? -80.67 -17.96 49.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.447 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.445 ' HB2' ' NE2' ' B' ' 84' ' ' GLN . 10.7 t -118.29 -4.34 10.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.967 -177.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -56.1 -48.37 76.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.652 0.263 . . . . 0.0 110.717 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 32.5 t -61.22 -38.13 85.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.96 -51.73 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.729 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.37 -44.02 91.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.46 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.1 -51.43 70.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.357 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -63.4 -37.08 85.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.712 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.6 m -62.35 -54.72 36.34 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.272 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.7 OUTLIER -60.03 -45.08 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.675 178.674 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.54 -44.15 85.73 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.189 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.14 -42.63 75.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.646 0.26 . . . . 0.0 110.748 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 86.7 m -61.42 -34.91 76.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.293 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 1.054 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 3.9 mp -58.09 -46.35 85.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.66 0.267 . . . . 0.0 111.227 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.414 ' HA ' HG23 ' B' ' 108' ' ' VAL . 72.3 ttt-85 -58.94 -48.7 80.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -65.6 -47.45 75.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.722 -177.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 46.5 m -54.12 -46.49 72.18 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.257 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.511 ' SD ' ' HG3' ' B' ' 18' ' ' MET . 16.6 mmt -63.67 -45.02 92.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 111.017 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 22.0 ttm -65.93 -31.33 72.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.416 -176.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -89.7 -13.19 37.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.602 0.239 . . . . 0.0 111.463 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -94.56 -45.66 7.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.006 0.432 . . . . 0.0 111.264 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.577 HG21 ' HB ' ' B' ' 8' ' ' ILE . 62.6 p -108.4 -40.02 5.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.968 0.413 . . . . 0.0 111.142 -177.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 125.07 -7.12 8.17 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 49.9 m -150.45 159.3 44.58 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.414 HG23 ' HA ' ' B' ' 98' ' ' ARG . 3.0 p -88.82 114.92 27.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.206 0.527 . . . . 0.0 111.077 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -68.27 106.32 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.016 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -75.78 -28.14 58.29 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.854 -175.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.41 86.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.008 0.432 . . . . 0.0 110.619 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.435 ' O ' HG23 ' B' ' 116' ' ' VAL . 78.1 t80 -69.41 -50.75 42.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.286 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.676 ' HA ' HD23 ' B' ' 97' ' ' LEU . 19.3 m -56.45 -40.01 74.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.994 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -68.19 -44.49 75.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.785 0.326 . . . . 0.0 110.549 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.78 -45.62 93.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.158 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.465 HG21 HD21 ' B' ' 97' ' ' LEU . 91.5 t -57.34 -37.89 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 111.24 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 117' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' B' ' 121' ' ' LYS . 30.0 mmt -68.12 -34.2 75.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.783 -178.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -78.76 -37.42 41.14 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.412 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' B' ' 116' ' ' VAL . 12.6 mt -56.48 -48.9 76.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.204 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.57 -33.79 58.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.509 -175.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' B' ' 117' ' ' MET . 53.2 mtpt -79.5 -25.5 41.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.522 0.201 . . . . 0.0 110.986 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 42.6 ttp -67.93 -37.86 82.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.961 0.41 . . . . 0.0 110.058 175.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.04 -18.31 61.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.273 0.559 . . . . 0.0 109.993 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 21.5 t -104.2 14.77 29.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.4 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 121.594 0.711 . . . . 0.0 111.373 -175.996 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.527 ' CG2' HG21 ' A' ' 105' ' ' THR . 9.1 pt . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -81.44 22.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.9 m -74.49 -26.42 59.99 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 173.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -128.57 131.98 24.08 Favored Pre-proline 0 C--O 1.233 0.222 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.11 175.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -69.82 -34.04 15.19 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.78 2.32 . . . . 0.0 113.045 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -81.97 -30.49 31.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.982 0.42 . . . . 0.0 109.96 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.71 -48.26 80.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.469 175.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HA ' HD12 ' A' ' 8' ' ' ILE . . . -65.64 -34.81 79.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.99 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.0 ttm -57.09 -31.26 65.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.279 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.6 m -61.9 -36.72 82.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.041 0.448 . . . . 0.0 110.396 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.413 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -67.73 -39.82 84.24 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.421 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -45.58 89.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.587 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.451 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 93.7 m-20 -60.05 -47.08 87.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.857 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -61.2 -37.55 83.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.754 -178.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.749 HD21 HD12 ' A' ' 97' ' ' LEU . 31.5 mt -60.91 -42.12 97.46 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.674 0.274 . . . . 0.0 111.206 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.27 -38.42 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.925 0.393 . . . . 0.0 110.244 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.496 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 96.9 mt-30 -64.7 -47.52 78.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.071 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.45 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 29.7 p -71.75 -34.66 69.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.704 0.288 . . . . 0.0 110.762 -178.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.8 -44.7 92.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.014 0.435 . . . . 0.0 110.777 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -65.86 -31.03 71.75 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.709 -176.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 5.1 ptm180 -90.34 -7.55 53.01 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.5 p -75.36 -50.52 15.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.558 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.59 8.7 76.61 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.846 -177.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.465 HG12 HG22 ' A' ' 89' ' ' VAL . 15.4 t -85.61 -37.27 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.158 0.504 . . . . 0.0 110.688 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 32' ' ' LEU . 6.2 mp -82.8 156.05 23.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.516 -174.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.0 p -89.88 178.91 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.702 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.59 96.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.462 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -54.83 -50.89 67.49 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.97 176.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -65.7 -43.63 88.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.877 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.0 mmm -66.29 -35.83 81.39 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.486 ' OD2' ' HE1' ' B' ' 61' ' ' HIS . 33.1 t70 -70.82 -35.42 72.48 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -63.16 -48.52 78.08 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.163 0.506 . . . . 0.0 109.898 173.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.6 mmm -58.86 -40.35 84.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.524 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.06 -45.42 96.61 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.895 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.434 ' SD ' ' HD3' ' B' ' 62' ' ' ARG . 51.3 ttp -60.34 -34.91 74.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.494 0.187 . . . . 0.0 110.869 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.589 ' O ' HG23 ' A' ' 47' ' ' VAL . 45.8 ttp -59.44 -53.83 53.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.943 0.401 . . . . 0.0 110.801 178.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.72 -33.28 75.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.207 0.527 . . . . 0.0 110.519 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.36 -43.58 85.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.0 p -65.41 -39.29 91.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.981 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 43' ' ' MET . 34.5 t -58.58 -50.74 77.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.904 0.383 . . . . 0.0 109.999 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -64.77 -39.95 94.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.9 m -65.28 -45.01 86.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.308 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.653 ' OE1' ' HB3' ' B' ' 46' ' ' SER . 11.0 mt-30 -75.85 -29.53 58.62 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.456 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.483 ' HB2' ' O ' ' A' ' 47' ' ' VAL . 5.5 tmm? -56.38 -47.25 79.31 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.028 0.442 . . . . 0.0 110.04 173.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -78.71 -26.69 44.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.417 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HB2' ' HA ' ' A' ' 50' ' ' GLN . 24.9 mtpp -61.48 -43.96 97.93 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.057 0.456 . . . . 0.0 110.429 172.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 75.0 mtm -75.14 -39.1 60.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.313 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.15 -161.17 26.45 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.248 175.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.06 134.79 30.38 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.71 2.274 . . . . 0.0 111.804 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.0 m120 57.29 73.46 0.78 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.891 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -81.62 162.69 19.1 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.46 2.107 . . . . 0.0 112.489 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.0 141.51 58.36 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.417 2.078 . . . . 0.0 111.604 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -82.73 -18.63 40.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.469 -172.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.872 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 35.0 p80 -73.38 -30.36 63.24 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.404 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.544 ' O ' ' HG2' ' A' ' 66' ' ' MET . 72.2 mtt180 -71.81 -26.12 62.28 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.246 173.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.6 mt -72.02 -38.54 69.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.674 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.872 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 11.7 ptt180 -62.17 -37.14 84.13 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.525 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -68.97 -36.9 78.41 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.875 177.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.544 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 93.3 mmm -65.12 -32.23 73.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.603 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -52.42 -61.16 2.46 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.104 0.478 . . . . 0.0 111.033 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.57 HG22 ' HB1' ' B' ' 72' ' ' ALA . 95.4 m -73.2 -23.64 60.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.98 -57.5 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 175.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.3 ttt -57.25 -46.02 83.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.645 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.82 -46.29 91.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.622 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.535 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -69.74 -34.79 74.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.441 -176.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 48.9 mt-10 -63.91 -44.59 92.5 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.472 178.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.447 HG23 ' SD ' ' A' ' 43' ' ' MET . 68.2 t -59.23 -48.09 88.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 121.067 0.46 . . . . 0.0 110.523 175.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.38 93.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.065 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.933 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 33.8 tp10 -58.95 -47.94 83.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.575 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 73' ' ' GLU . 71.5 t -54.38 -50.72 55.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.544 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.418 HG22 HG12 ' A' ' 89' ' ' VAL . 59.4 t -67.7 -43.99 86.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.821 -178.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.37 -26.01 68.28 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -176.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.529 HG21 ' HD2' ' B' ' 64' ' ' ARG . 2.7 m -96.84 28.28 3.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.499 0.666 . . . . 0.0 110.812 -177.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.482 ' HB2' ' HA ' ' A' ' 86' ' ' TYR . 32.0 m -84.68 156.05 61.79 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.464 173.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 85' ' ' SER . 37.1 Cg_exo -57.53 152.38 48.19 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 121.724 1.616 . . . . 0.0 110.159 171.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -55.12 -32.46 79.93 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.167 1.911 . . . . 0.0 111.709 -176.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -82.12 -9.94 59.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.013 -177.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.463 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 33.0 t -119.96 -14.11 8.95 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -173.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.482 ' HA ' ' HB2' ' A' ' 81' ' ' SER . 43.3 t80 -49.53 -59.99 3.26 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.217 0.532 . . . . 0.0 111.501 -178.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 m -59.54 -37.72 79.14 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.603 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.84 -47.35 72.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.979 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.465 HG22 HG12 ' A' ' 31' ' ' VAL . 61.5 t -65.2 -40.92 90.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.077 0.465 . . . . 0.0 109.954 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.11 -52.81 64.01 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.772 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -58.61 -39.01 79.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.094 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 73.1 m -61.87 -49.58 75.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.62 -178.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.5 mm -66.76 -47.11 83.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.301 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.73 -29.63 74.46 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.683 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.49 -41.6 32.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.789 0.328 . . . . 0.0 110.349 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 53.7 t -66.7 -37.68 85.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.674 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.749 HD12 HD21 ' A' ' 22' ' ' LEU . 2.3 mp -48.58 -48.78 38.73 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 111.328 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.482 ' HG3' HG21 ' A' ' 108' ' ' VAL . 61.2 ttt180 -61.21 -48.51 81.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.235 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -70.76 -44.2 67.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.058 -176.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.8 m -55.29 -42.23 73.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.425 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.501 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 10.0 mmt -63.81 -42.21 97.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.344 . . . . 0.0 110.941 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 32.9 ttm -72.17 -28.91 63.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.332 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -80.41 -34.19 36.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.917 0.389 . . . . 0.0 110.726 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.08 -48.95 40.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.351 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.527 HG21 ' CG2' ' A' ' 8' ' ' ILE . 62.0 p -111.96 -47.84 3.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.111 0.481 . . . . 0.0 111.332 -175.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 136.39 -14.39 3.97 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 48.9 m -139.26 156.7 46.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.501 ' HA ' ' HB3' ' A' ' 101' ' ' MET . 3.5 p -92.22 117.29 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.17 0.51 . . . . 0.0 111.223 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -79.0 135.86 37.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.214 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -93.14 -23.91 18.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.657 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.56 -45.59 89.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.612 0.244 . . . . 0.0 111.371 -174.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.428 ' O ' HG23 ' A' ' 116' ' ' VAL . 78.9 t80 -75.1 -49.88 18.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.789 0.328 . . . . 0.0 110.615 177.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.607 ' HA ' HD23 ' A' ' 97' ' ' LEU . 30.2 m -57.34 -45.35 84.39 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.504 -176.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -64.73 -43.26 93.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.964 0.411 . . . . 0.0 110.498 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -58.54 -44.31 89.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.745 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.448 ' HA ' HD12 ' A' ' 119' ' ' LEU . 55.1 t -60.15 -38.04 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 178.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.575 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 18.9 mmt -70.52 -38.62 74.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.335 -176.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -73.21 -36.71 66.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.41 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.532 HD23 ' HE1' ' B' ' 122' ' ' MET . 15.6 mt -58.03 -51.23 70.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.883 177.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.8 -30.85 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.806 -173.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 117' ' ' MET . 66.4 mttm -66.23 -45.31 81.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.211 0.529 . . . . 0.0 109.802 175.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.516 ' HE1' HD23 ' B' ' 119' ' ' LEU . 47.8 ttp -68.71 -41.96 78.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.155 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.25 -21.57 65.28 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 111.515 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.6 t . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.275 -177.216 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.499 HG21 HG21 ' B' ' 105' ' ' THR . 25.1 pt . . . . . 0 C--O 1.232 0.146 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -83.45 51.93 2.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.288 0.566 . . . . 0.0 111.729 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 22.2 p -100.27 -49.45 4.26 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.36 171.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -104.46 123.8 39.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.543 175.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -65.32 -27.15 55.67 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.715 2.277 . . . . 0.0 112.44 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -72.42 -39.59 67.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.62 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.12 -45.35 73.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.891 0.377 . . . . 0.0 110.736 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.32 90.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.08 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -63.33 -30.01 71.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.812 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 86.7 m -65.28 -35.62 81.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.589 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.442 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.82 -40.57 96.93 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.277 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -63.88 -46.05 86.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.87 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -66.54 -42.65 86.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.138 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -59.8 -37.14 78.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.05 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.767 HD21 HD12 ' B' ' 97' ' ' LEU . 49.0 mt -61.56 -42.23 98.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.903 177.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.51 -37.92 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.992 0.425 . . . . 0.0 110.358 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.35 -52.25 62.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.214 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' CYS . . . . . 0.462 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 29.3 p -68.78 -37.63 79.45 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.941 -177.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.09 -43.89 97.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.965 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 41.2 t -65.72 -41.51 92.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.462 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 1.2 ptm180 -83.18 -6.46 59.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.762 -175.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.489 ' OG ' HG12 ' B' ' 31' ' ' VAL . 97.0 p -80.6 -42.13 22.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.132 0.491 . . . . 0.0 110.312 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.57 4.81 87.37 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.266 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.737 HG13 HD12 ' B' ' 32' ' ' LEU . 11.3 p -88.53 -22.0 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.628 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.737 HD12 HG13 ' B' ' 31' ' ' VAL . 6.5 mp -95.36 151.41 19.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 175.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 73.2 p -93.41 171.96 8.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.403 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.82 -31.78 71.17 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.725 0.298 . . . . 0.0 110.547 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.97 -58.6 7.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.815 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.579 ' HB3' HG13 ' B' ' 77' ' ' VAL . 48.7 mt-30 -60.96 -39.79 90.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 81.4 mmm -67.05 -30.91 71.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.847 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.465 ' OD2' ' HE1' ' A' ' 61' ' ' HIS . 27.4 t70 -73.41 -36.03 65.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -66.99 -43.85 81.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.905 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.426 ' O ' ' HB3' ' B' ' 43' ' ' MET . 72.5 mmm -57.64 -42.89 84.34 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.281 0.562 . . . . 0.0 110.237 173.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.67 -40.17 97.28 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.18 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 50.9 ttp -63.37 -34.06 76.89 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-O 120.769 0.319 . . . . 0.0 110.434 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' MET . . . . . 0.499 ' O ' HG23 ' B' ' 47' ' ' VAL . 41.0 ttp -59.02 -50.3 74.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.038 0.447 . . . . 0.0 110.453 175.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.25 83.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.741 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -68.78 -43.29 76.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.619 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.653 ' HB3' ' OE1' ' A' ' 50' ' ' GLN . 12.5 p -62.29 -47.77 82.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.065 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 43' ' ' MET . 38.3 t -59.01 -40.92 81.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.936 0.398 . . . . 0.0 110.284 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -65.32 -47.59 76.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.422 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' B' ' 52' ' ' GLN . 53.2 m -65.19 -46.64 79.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.172 -177.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -66.22 -32.14 73.38 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.142 -0.223 . . . . 0.0 111.182 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' MET . . . . . 0.421 ' HB2' ' O ' ' B' ' 47' ' ' VAL . 4.5 tmm? -57.49 -53.0 63.08 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.062 0.458 . . . . 0.0 110.623 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' B' ' 49' ' ' SER . 7.6 pt20 -73.13 -19.64 61.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.217 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -74.39 -27.92 60.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.211 173.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.5 mtm -83.41 -38.3 22.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.835 0.35 . . . . 0.0 110.632 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.67 -130.92 10.52 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.531 -0.842 . . . . 0.0 113.531 171.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.0 117.39 5.12 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 123.02 2.48 . . . . 0.0 112.989 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 15.1 m120 49.51 78.69 0.39 Allowed Pre-proline 0 N--CA 1.466 0.374 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.509 177.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -54.96 148.1 48.99 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.649 2.232 . . . . 0.0 113.792 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -69.13 123.94 10.83 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.419 2.746 . . . . 0.0 111.668 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLN . . . . . 0.501 ' HA ' ' CG ' ' B' ' 63' ' ' LEU . 30.0 pt20 -72.53 -6.54 44.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -176.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' HIS . . . . . 0.823 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 33.9 p80 -75.19 -34.24 61.5 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.233 170.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.434 ' HD3' ' SD ' ' A' ' 42' ' ' MET . 72.9 mtt180 -72.68 -28.56 62.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 173.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.501 ' CG ' ' HA ' ' B' ' 60' ' ' GLN . 89.6 mt -67.0 -41.58 86.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.663 175.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.823 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 21.3 ptt180 -61.76 -36.72 81.85 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.933 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -68.34 -42.37 79.39 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.484 177.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.521 ' HA ' ' HB3' ' B' ' 69' ' ' ALA . 96.7 mmm -71.53 -24.52 61.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.34 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -54.11 -55.36 28.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.175 0.512 . . . . 0.0 110.218 174.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.535 HG22 ' HB1' ' A' ' 72' ' ' ALA . 84.8 m -76.33 -24.32 54.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.817 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.566 ' O ' ' HG2' ' B' ' 73' ' ' GLU . . . -62.76 -55.27 28.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.76 0.314 . . . . 0.0 110.154 174.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.5 ttt -57.78 -46.86 83.99 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.653 177.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.5 92.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.199 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.57 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -71.4 -33.82 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.328 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' B' ' 69' ' ' ALA . 9.1 mm-40 -61.8 -50.47 72.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.682 0.277 . . . . 0.0 110.272 177.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.493 ' O ' HG23 ' B' ' 78' ' ' VAL . 88.8 t -58.28 -46.01 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.275 176.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.53 96.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.187 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.525 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 6.3 tp10 -62.69 -45.2 93.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.902 0.382 . . . . 0.0 110.23 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.579 HG13 ' HB3' ' B' ' 36' ' ' GLN . 67.7 t -59.03 -38.44 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.202 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 74' ' ' VAL . 59.3 t -80.59 -45.07 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.407 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.24 -43.33 82.2 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 7.6 m -85.66 69.47 10.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.465 0.65 . . . . 0.0 110.185 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 15.5 m -136.93 164.17 44.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.336 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.47 144.35 73.75 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.062 1.841 . . . . 0.0 110.983 173.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.72 -16.25 53.63 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.449 2.099 . . . . 0.0 112.136 -173.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -91.18 -6.97 52.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.162 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -121.79 -15.07 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.474 -174.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -47.74 -64.68 0.72 Allowed 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 49.7 m -64.85 -26.41 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.643 -175.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.68 -48.79 63.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.001 0.429 . . . . 0.0 110.294 178.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.477 HG12 HG22 ' B' ' 78' ' ' VAL . 59.1 t -64.22 -40.74 90.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.869 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.31 -52.38 65.58 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.909 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -57.84 -39.43 77.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.035 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 59.8 m -64.28 -48.42 75.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.616 -177.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.8 mm -65.78 -46.47 88.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.238 178.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.59 -39.21 96.17 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.702 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.26 -40.28 67.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.719 0.295 . . . . 0.0 110.959 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 48.9 t -69.58 -33.31 72.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.799 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.767 HD12 HD21 ' B' ' 22' ' ' LEU . 0.8 OUTLIER -50.66 -45.33 57.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.405 177.837 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.514 ' HG3' HG21 ' B' ' 108' ' ' VAL . 58.2 ttt180 -62.87 -43.04 99.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.627 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.66 -49.74 50.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 73.2 m -51.38 -43.45 61.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.644 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.478 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 10.7 mmt -64.97 -46.67 80.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.034 0.445 . . . . 0.0 110.912 177.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 25.4 ttm -68.96 -27.48 65.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.541 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -93.66 -6.5 46.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.566 0.222 . . . . 0.0 111.278 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.13 -48.4 5.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.771 0.319 . . . . 0.0 111.132 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.499 HG21 HG21 ' B' ' 8' ' ' ILE . 74.4 p -108.23 -38.3 5.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.398 0.618 . . . . 0.0 110.945 -178.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.78 -21.97 5.53 Favored Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.171 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 17.9 m -130.74 159.88 35.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.514 HG21 ' HG3' ' B' ' 98' ' ' ARG . 5.8 p -100.05 121.24 50.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.151 0.501 . . . . 0.0 111.538 -177.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.11 137.23 34.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.15 173.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -94.7 -23.06 17.73 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.356 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.83 -55.59 28.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.798 0.332 . . . . 0.0 110.738 -175.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.48 ' O ' HG23 ' B' ' 116' ' ' VAL . 83.2 t80 -66.19 -44.13 84.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.335 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.565 ' HA ' HD23 ' B' ' 97' ' ' LEU . 46.6 m -59.66 -46.65 88.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.31 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -66.81 -40.41 88.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -57.45 -47.92 80.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.764 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 112' ' ' PHE . 58.2 t -60.0 -37.31 71.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.066 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 17.7 mmt -68.71 -38.91 80.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -75.12 -35.56 61.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.42 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.516 HD23 ' HE1' ' A' ' 122' ' ' MET . 13.3 mt -59.22 -51.71 68.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.113 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 p -65.72 -31.1 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.617 -174.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -69.38 -40.51 77.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.085 0.469 . . . . 0.0 110.337 177.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.532 ' HE1' HD23 ' A' ' 119' ' ' LEU . 47.9 ttp -72.0 -42.66 66.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.784 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.11 -27.67 69.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.818 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 32.1 t -98.93 6.26 46.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.389 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 C-N-CA 120.466 -0.494 . . . . 0.0 112.062 -178.455 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.4 pt . . . . . 0 CA--C 1.534 0.339 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.441 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 60.4 m95 -80.66 10.47 4.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.871 -177.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 m -64.08 -29.94 71.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.509 0.671 . . . . 0.0 109.24 172.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.408 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 49.8 t-20 -115.03 116.25 42.64 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.872 175.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -69.46 -21.15 35.31 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.832 2.354 . . . . 0.0 112.471 -174.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -85.61 -44.11 12.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.054 0.454 . . . . 0.0 109.792 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.408 ' HB3' ' HB3' ' A' ' 11' ' ' ASN . . . -65.19 -41.61 94.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.927 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' A' ' 9' ' ' TRP . . . -64.43 -40.49 95.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.389 177.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 40.9 ttm -63.24 -27.15 69.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.419 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.1 m -65.18 -40.59 94.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.268 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.418 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -62.32 -40.66 97.07 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.477 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -61.64 -46.34 90.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.874 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -70.31 -40.14 74.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.219 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -59.44 -36.89 76.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.619 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.808 HD21 HD12 ' A' ' 97' ' ' LEU . 40.0 mt -60.34 -48.08 83.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.784 176.29 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.82 -42.41 92.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.704 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -63.54 -43.42 97.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.726 177.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.519 ' HA ' ' HD2' ' A' ' 28' ' ' ARG . 19.4 t -69.21 -36.97 77.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.875 -178.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.36 -38.61 81.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.154 0.502 . . . . 0.0 110.612 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.6 t -67.81 -38.94 83.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.118 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.519 ' HD2' ' HA ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER -76.78 -17.83 58.8 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.994 -177.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 p -90.17 -49.24 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.712 0.291 . . . . 0.0 110.554 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.83 22.39 64.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.032 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.443 HG12 HG22 ' A' ' 89' ' ' VAL . 11.5 t -81.72 -25.33 9.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.238 0.542 . . . . 0.0 110.159 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 32' ' ' LEU . 5.8 mp -90.25 156.41 18.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.726 -176.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.8 p -86.74 178.67 6.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.734 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.06 97.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.09 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.506 ' OD1' ' HB3' ' B' ' 61' ' ' HIS . 17.8 t70 -64.99 -39.82 94.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.509 -178.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 55.1 mt-30 -66.97 -46.88 73.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 177.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 83.7 mmm -64.77 -41.74 95.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.64 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -65.71 -32.37 73.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.007 0.432 . . . . 0.0 110.207 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.74 -46.58 78.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.242 0.544 . . . . 0.0 109.816 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 43.8 mmm -59.3 -39.38 82.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.338 175.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.45 -49.01 73.26 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.576 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.4 ptt? -70.81 -23.62 62.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.962 0.381 . . . . 0.0 110.225 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 43.5 ttp -59.69 -53.57 56.5 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.082 0.468 . . . . 0.0 109.852 174.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.07 92.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.783 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.61 -37.94 89.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.3 m -60.62 -44.96 95.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.9 t -67.61 -40.96 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.341 0.591 . . . . 0.0 110.241 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -63.25 -46.67 85.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.922 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.45 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 13.2 p -64.72 -45.21 87.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.525 -175.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -59.01 -44.98 91.77 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.782 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -55.37 -46.22 76.51 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.773 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -69.25 -34.25 74.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.23 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 49' ' ' SER . 26.3 mtpp -72.7 -39.03 67.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.186 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.673 ' SD ' ' HD3' ' A' ' 62' ' ' ARG . 74.2 mtm -75.98 -41.29 51.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 178.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.97 -150.34 21.43 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.463 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.18 142.27 27.13 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.724 2.283 . . . . 0.0 112.16 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 61.15 72.64 0.67 Allowed Pre-proline 0 N--CA 1.467 0.4 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.391 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -87.52 161.71 8.04 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.981 2.454 . . . . 0.0 112.143 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.423 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 28.0 Cg_endo -63.16 123.14 11.66 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.902 2.401 . . . . 0.0 111.869 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.499 ' OE1' HD12 ' A' ' 63' ' ' LEU . 13.4 mm-40 -65.57 -29.13 69.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.95 -174.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -69.08 -26.41 64.93 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.077 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.673 ' HD3' ' SD ' ' A' ' 54' ' ' MET . 59.2 ttt180 -76.02 -30.74 58.59 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.499 HD12 ' OE1' ' A' ' 60' ' ' GLN . 67.2 mt -71.64 -36.08 70.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.514 173.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.73 HH11 ' HG2' ' A' ' 64' ' ' ARG . 22.5 ttp85 -57.97 -43.48 86.5 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.08 171.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.621 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -62.19 -47.94 82.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.61 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.461 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 99.1 mmm -68.88 -21.66 64.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.464 -176.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 64' ' ' ARG . 15.1 t-20 -58.82 -50.0 75.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.108 0.48 . . . . 0.0 110.233 172.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.494 HG22 ' HB1' ' B' ' 72' ' ' ALA . 6.2 m -69.97 -38.43 76.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.303 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.68 -50.31 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.22 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.7 ttt -59.82 -45.74 91.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.23 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.87 95.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.172 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.47 94.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.801 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.601 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 16.8 mm-40 -60.63 -54.88 40.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.561 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 78' ' ' VAL . 61.1 t -55.12 -44.54 74.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.966 0.412 . . . . 0.0 110.723 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.72 92.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.473 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -71.53 -28.13 63.67 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.343 -178.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 73' ' ' GLU . 44.1 t -62.14 -48.14 89.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 172.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 74' ' ' VAL . 67.6 t -66.02 -42.37 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.011 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.24 -26.92 68.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.713 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.7 m -87.28 76.37 9.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.191 0.52 . . . . 0.0 110.232 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.5 p -160.67 164.12 19.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.674 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -62.0 137.04 64.63 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.254 1.97 . . . . 0.0 110.98 173.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.07 -13.01 37.92 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.619 2.213 . . . . 0.0 112.373 -172.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -82.32 -14.7 54.92 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.934 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.0 t -126.51 2.76 6.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.135 0.493 . . . . 0.0 110.491 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -59.52 -41.55 90.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.163 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 t -67.17 -34.22 77.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.277 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.43 65.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.545 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.443 HG22 HG12 ' A' ' 31' ' ' VAL . 48.0 t -62.02 -42.88 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.302 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.72 -53.02 62.5 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.68 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -57.92 -35.74 71.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.962 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.5 m -64.27 -54.6 30.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.376 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.482 HG23 HD13 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -60.0 -43.16 91.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.894 177.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.09 -41.95 94.86 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.188 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.22 68.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.692 0.282 . . . . 0.0 110.803 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.434 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 73.1 m -65.23 -29.59 70.4 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.171 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.808 HD12 HD21 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -56.69 -47.16 80.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.142 0.496 . . . . 0.0 110.265 176.344 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.419 ' HG3' HG11 ' A' ' 108' ' ' VAL . 33.5 ttt180 -59.43 -51.57 69.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.998 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.434 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 7.3 pt-20 -75.89 -27.19 57.61 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -175.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.8 m -61.2 -41.68 97.25 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.252 175.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.1 mmt -67.39 -40.34 85.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.078 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.8 tpp -61.75 -39.86 93.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.211 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 15.5 mm100 -79.79 -25.92 40.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.75 0.309 . . . . 0.0 111.051 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.43 -64.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -176.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 61.4 p -96.29 -25.9 15.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.91 0.386 . . . . 0.0 110.919 -175.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.3 4.2 58.49 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -175.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.2 m -138.54 144.3 39.84 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.419 HG11 ' HG3' ' A' ' 98' ' ' ARG . 58.7 t -88.54 104.48 14.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.797 0.332 . . . . 0.0 111.25 -178.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -80.99 131.18 35.29 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 170.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.447 ' HA ' ' HB ' ' A' ' 113' ' ' THR . 8.0 t30 -106.91 -4.9 18.65 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.87 -53.39 18.26 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.426 ' O ' HG23 ' A' ' 116' ' ' VAL . 85.4 t80 -66.02 -42.01 90.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.156 175.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.59 ' HA ' HD23 ' A' ' 97' ' ' LEU . 69.2 m -58.53 -48.8 79.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.55 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -65.92 -38.7 89.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.758 0.314 . . . . 0.0 110.283 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.3 -46.87 76.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.597 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 112' ' ' PHE . 61.2 t -64.58 -34.79 72.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 28.3 mmt -70.32 -34.68 72.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.135 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -74.05 -39.43 63.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.96 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 116' ' ' VAL . 12.4 mt -58.09 -54.99 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.098 178.021 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.52 -30.76 50.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.391 -174.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -74.47 -34.78 63.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.694 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 43.6 ttp -66.51 -43.03 86.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.758 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -67.76 -21.99 65.23 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.967 0.413 . . . . 0.0 110.851 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.402 -176.977 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' B' ' 15' ' ' ALA . 1.4 pt . . . . . 0 N--CA 1.461 0.116 0 CA-C-O 121.012 0.434 . . . . 0.0 111.708 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' TRP . . . . . 0.781 ' HA ' ' HB2' ' B' ' 15' ' ' ALA . 49.6 m95 -75.43 10.39 1.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.379 178.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.7 m -57.33 -34.14 68.45 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.395 0.617 . . . . 0.0 110.162 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.562 ' HB2' ' HB3' ' B' ' 14' ' ' ALA . 2.3 m-20 -113.82 124.32 31.3 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 171.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -64.44 -32.43 60.16 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.639 2.226 . . . . 0.0 112.441 -175.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -81.5 -39.8 24.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.838 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' B' ' 11' ' ' ASN . . . -63.95 -42.33 97.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.689 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.781 ' HB2' ' HA ' ' B' ' 9' ' ' TRP . . . -65.83 -41.4 91.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.134 0.493 . . . . 0.0 110.685 176.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 47.4 ttm -61.03 -25.96 67.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.83 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 42.2 m -64.08 -39.59 94.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.195 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.97 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -62.55 -43.95 97.54 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.013 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -62.63 -44.01 97.37 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -71.31 -45.8 62.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.731 -177.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -65.05 -30.51 71.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.756 0.312 . . . . 0.0 110.519 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.768 HD11 HD12 ' B' ' 97' ' ' LEU . 12.8 tp -59.45 -47.58 84.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.205 177.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.529 HG22 ' HB3' ' B' ' 40' ' ' MET . 61.9 t -64.79 -40.81 90.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.545 178.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -63.53 -36.48 83.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.086 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 49.3 t -69.09 -40.27 78.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.878 0.371 . . . . 0.0 110.364 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.69 -33.93 74.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.517 0.675 . . . . 0.0 110.67 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 34.3 t -67.59 -34.95 78.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.325 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -89.13 -10.71 46.23 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.4 ' HB2' HG23 ' B' ' 31' ' ' VAL . 18.1 p -89.58 -41.92 11.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.014 0.435 . . . . 0.0 110.195 177.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.79 18.87 79.68 Favored Glycine 0 C--N 1.33 0.218 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.117 174.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' B' ' 29' ' ' SER . 14.0 t -78.95 -28.97 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.367 0.603 . . . . 0.0 110.292 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.457 ' N ' HD12 ' B' ' 32' ' ' LEU . 6.0 mp -86.47 156.57 20.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.01 -173.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 55.0 p -86.94 177.85 7.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.749 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.23 96.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.61 -47.06 85.42 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.24 0.543 . . . . 0.0 109.882 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.612 ' HB3' HG13 ' B' ' 77' ' ' VAL . 53.0 mt-30 -63.65 -47.9 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.149 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 82.3 mmm -65.49 -38.91 91.15 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -70.45 -30.27 67.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.831 0.348 . . . . 0.0 110.261 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.462 ' HB3' HG22 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -65.33 -43.73 90.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.572 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.529 ' HB3' HG22 ' B' ' 23' ' ' VAL . 63.3 mmm -61.81 -47.61 84.33 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.697 176.066 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.91 -41.06 99.61 Favored Glycine 0 C--N 1.331 0.265 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.052 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -61.4 -42.98 99.59 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.725 0.298 . . . . 0.0 110.508 176.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' MET . . . . . 0.522 ' O ' HG23 ' B' ' 47' ' ' VAL . 47.3 ttp -52.71 -54.0 39.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.79 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.35 79.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.337 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.32 -39.03 71.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.005 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -66.56 -37.85 85.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.885 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.543 ' O ' ' HG2' ' B' ' 51' ' ' MET . 42.6 t -65.79 -40.48 87.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -65.15 -53.15 49.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.186 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 13.1 p -62.89 -41.18 99.32 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.824 -175.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -64.03 -32.81 74.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.576 0.227 . . . . 0.0 111.06 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' B' ' 47' ' ' VAL . 83.4 mmm -75.41 -25.4 57.55 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.771 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -69.07 -37.4 78.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.232 0.539 . . . . 0.0 109.81 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -66.35 -50.31 64.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.894 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.6 mtm -87.17 -39.51 15.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.86 -173.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.4 -164.68 43.91 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.126 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -69.59 155.84 65.4 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.584 2.189 . . . . 0.0 112.125 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 61.61 74.47 0.5 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.881 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -96.78 178.94 0.49 Allowed 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.439 2.76 . . . . 0.0 110.96 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.664 ' O ' ' HB3' ' B' ' 62' ' ' ARG . 19.4 Cg_endo -63.62 147.43 92.85 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 121.653 1.568 . . . . 0.0 110.996 172.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -65.91 -37.28 85.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.784 0.326 . . . . 0.0 111.607 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' HIS . . . . . 0.515 ' HA ' ' HB3' ' B' ' 64' ' ' ARG . 13.9 p80 -66.92 -20.92 65.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.636 0.255 . . . . 0.0 110.672 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.664 ' HB3' ' O ' ' B' ' 59' ' ' PRO . 20.6 tpt180 -58.03 -45.22 87.3 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.462 HD13 ' O ' ' B' ' 9' ' ' TRP . 49.6 mt -73.06 -40.2 65.26 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.976 178.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.515 ' HB3' ' HA ' ' B' ' 61' ' ' HIS . 57.7 ttp85 -56.17 -46.76 79.22 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.454 178.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.41 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -75.0 -44.21 49.45 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -176.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 99.4 mmm -62.1 -26.91 68.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.173 -176.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -55.55 -51.52 66.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.107 0.48 . . . . 0.0 109.901 172.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.472 HG21 ' HB3' ' A' ' 76' ' ' GLU . 7.5 m -69.21 -39.03 78.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.698 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -58.75 -50.24 74.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.99 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 21.9 ttt -58.72 -45.71 88.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.193 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.37 94.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.402 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.494 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -64.8 -37.34 87.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' B' ' 76' ' ' GLU . 45.6 mt-10 -63.94 -39.59 94.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.901 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.82 -44.3 85.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.99 0.424 . . . . 0.0 110.955 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.42 99.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.54 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.621 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 17.3 pt-20 -64.15 -35.78 81.88 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.612 HG13 ' HB3' ' B' ' 36' ' ' GLN . 46.7 t -60.99 -46.45 96.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.316 177.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 56.9 t -65.9 -43.81 92.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.886 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.53 -25.98 66.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.987 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 21.8 m -86.57 73.77 10.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.445 0.64 . . . . 0.0 110.505 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 78.8 p -162.96 159.86 18.95 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.288 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' PRO . . . . . 0.47 ' HB2' ' HG2' ' B' ' 84' ' ' GLN . 26.6 Cg_exo -63.55 147.03 93.27 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.223 1.948 . . . . 0.0 110.959 174.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 82' ' ' PRO . 21.0 Cg_exo -55.65 -31.74 80.72 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.61 2.206 . . . . 0.0 112.047 -175.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' GLN . . . . . 0.47 ' HG2' ' HB2' ' B' ' 82' ' ' PRO . 20.8 pt20 -62.71 -28.3 69.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.555 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.423 ' O ' HG23 ' B' ' 89' ' ' VAL . 12.3 p -112.24 -8.7 13.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.531 -177.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -55.45 -51.31 67.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.832 -176.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 7.7 t -67.71 -35.26 78.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.938 0.399 . . . . 0.0 110.017 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.63 69.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.918 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 85' ' ' SER . 98.7 t -61.39 -41.16 88.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.137 0.494 . . . . 0.0 110.17 178.064 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.61 -52.43 65.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.448 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.63 -33.31 73.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.913 -179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 70.6 m -64.7 -56.48 13.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.17 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.8 OUTLIER -59.39 -44.45 92.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 179.478 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.0 -32.1 62.21 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 121.291 -0.48 . . . . 0.0 112.82 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.98 -39.2 20.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.688 0.28 . . . . 0.0 110.927 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' CYS . . . . . 0.504 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 72.3 m -63.77 -34.82 78.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.601 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.97 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 5.9 mp -60.15 -43.42 95.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.99 0.424 . . . . 0.0 110.732 178.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -59.56 -46.84 87.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.98 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.504 ' HG2' ' HA ' ' B' ' 96' ' ' CYS . 12.3 pt-20 -75.29 -32.9 61.14 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.444 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 54.9 m -63.0 -37.75 88.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.612 0.244 . . . . 0.0 110.531 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.446 ' HE1' ' HG3' ' B' ' 18' ' ' MET . 20.5 mmt -67.34 -42.21 83.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.956 0.407 . . . . 0.0 110.268 176.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 102' ' ' MET . . . . . 0.404 ' HE1' HG23 ' B' ' 108' ' ' VAL . 51.1 tpp -60.31 -37.09 79.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.849 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -89.64 -4.09 57.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.88 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -105.96 -56.81 2.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.784 0.326 . . . . 0.0 111.435 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 75.3 p -101.6 -31.5 10.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.135 0.493 . . . . 0.0 110.9 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.32 -0.37 40.51 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.495 -176.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.2 m -135.33 161.0 36.64 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.404 HG23 ' HE1' ' B' ' 102' ' ' MET . 89.8 t -103.33 105.69 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.88 0.372 . . . . 0.0 111.212 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -88.05 115.64 25.66 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 171.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -95.66 -0.86 51.18 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.961 0.41 . . . . 0.0 110.005 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.07 -51.77 35.35 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -64.77 -47.92 76.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.798 175.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.627 ' HA ' HD23 ' B' ' 97' ' ' LEU . 20.2 m -53.39 -44.51 68.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.567 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -70.02 -35.74 74.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.666 0.27 . . . . 0.0 110.683 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -57.33 -44.99 84.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.272 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.473 HG21 HD21 ' B' ' 97' ' ' LEU . 59.3 t -63.31 -34.78 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.966 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' MET . . . . . 0.419 ' O ' ' HG3' ' B' ' 121' ' ' LYS . 29.5 mmt -68.78 -37.18 79.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.077 -178.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -71.92 -41.89 67.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.358 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' B' ' 116' ' ' VAL . 13.2 mt -55.99 -51.58 67.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.342 178.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.34 -28.1 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.631 -174.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' B' ' 117' ' ' MET . 68.9 mttm -76.08 -36.44 58.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.809 0.338 . . . . 0.0 110.323 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 43.5 ttp -64.29 -39.08 93.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.566 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.98 -24.62 64.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.215 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 16.6 t -92.58 0.76 57.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.201 0.524 . . . . 0.0 110.591 -177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.587 0 CA-C-O 121.052 0.453 . . . . 0.0 110.775 -179.062 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.447 HG21 HG21 ' A' ' 105' ' ' THR . 11.8 pt . . . . . 0 CA--C 1.531 0.237 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -80.77 72.3 7.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.478 0.656 . . . . 0.0 111.85 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.7 p -117.88 -26.22 6.54 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.51 170.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -128.73 131.53 23.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.983 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.6 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 12.5 Cg_exo -63.67 -43.21 17.6 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.631 2.221 . . . . 0.0 112.231 -178.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -67.12 -38.39 85.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.943 0.401 . . . . 0.0 110.742 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.36 99.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.542 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.69 76.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.902 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.44 ' CE ' ' HA ' ' A' ' 48' ' ' ASN . 43.5 ttm -58.04 -33.06 68.58 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.1 m -61.42 -37.37 83.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.97 0.414 . . . . 0.0 110.281 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.879 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -67.51 -41.99 83.57 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 176.103 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -62.19 -42.27 99.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.006 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -68.91 -48.42 63.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.727 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -59.97 -33.56 72.1 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.075 0.464 . . . . 0.0 110.599 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.507 HD11 HD12 ' A' ' 97' ' ' LEU . 16.6 tp -64.58 -33.02 74.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.071 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.9 t -77.4 -39.85 28.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.3 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 52.5 mt-30 -58.97 -44.62 91.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.783 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 24.1 p -68.91 -40.75 78.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.357 . . . . 0.0 110.603 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -62.16 -40.69 96.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.366 0.603 . . . . 0.0 110.678 178.31 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.4 t -61.93 -43.61 98.48 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.552 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.4 ptp180 -85.04 -27.26 26.5 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.4 p -65.05 -40.04 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.367 . . . . 0.0 110.503 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.45 6.76 88.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.538 173.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.906 HG23 HD12 ' A' ' 32' ' ' LEU . 6.5 m -77.42 -18.45 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 117.103 0.451 . . . . 0.0 111.277 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.906 HD12 HG23 ' A' ' 31' ' ' VAL . 5.7 mp -101.61 150.04 23.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.425 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.2 p -86.62 177.77 7.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.727 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.75 -32.92 74.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.98 0.419 . . . . 0.0 110.587 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.77 -52.9 54.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.863 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.453 ' HB3' HD23 ' A' ' 32' ' ' LEU . 52.8 mt-30 -61.9 -38.74 89.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.166 -177.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.7 mmm -65.58 -33.78 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.83 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.433 ' HB3' ' CE1' ' B' ' 61' ' ' HIS . 39.1 t70 -82.12 -25.12 34.69 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.31 178.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 42' ' ' MET . 74.8 m-20 -63.21 -51.34 66.69 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.522 ' O ' ' HB3' ' A' ' 43' ' ' MET . 84.5 mtp -67.71 -23.75 65.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.2 174.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.91 -46.23 92.11 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.991 -0.623 . . . . 0.0 111.751 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 22.5 ptt? -71.76 -20.79 61.83 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.208 178.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.522 ' HB3' ' O ' ' A' ' 40' ' ' MET . 49.7 ttp -59.45 -54.0 51.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.171 0.51 . . . . 0.0 110.1 171.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.36 74.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.526 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.417 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 35.7 t70 -71.57 -39.26 70.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.615 -179.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 p -66.3 -38.57 88.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.649 0.262 . . . . 0.0 110.75 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 43' ' ' MET . 21.8 t -66.66 -39.46 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.343 0.592 . . . . 0.0 110.031 175.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 43.0 t-20 -68.51 -48.96 63.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.065 -178.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 12.4 p -60.52 -36.84 79.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -177.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -60.42 -39.33 87.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.256 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.6 ' SD ' ' HB2' ' A' ' 12' ' ' PRO . 57.3 mtp -68.89 -29.09 67.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.72 0.295 . . . . 0.0 110.687 178.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -75.38 -31.89 60.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.224 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 49' ' ' SER . 72.4 mmtt -73.43 -52.24 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.658 177.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.576 ' SD ' ' HD2' ' A' ' 62' ' ' ARG . 72.9 mtm -82.13 -78.78 0.19 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.342 -177.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.87 -152.01 21.97 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.308 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -85.84 -0.65 8.67 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.147 2.565 . . . . 0.0 113.646 -175.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -138.3 68.25 47.07 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-O 120.882 0.372 . . . . 0.0 110.833 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -84.24 163.23 13.2 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.992 2.461 . . . . 0.0 112.77 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.406 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 36.9 Cg_endo -67.41 137.19 42.35 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.585 2.19 . . . . 0.0 111.811 176.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -65.8 -37.94 87.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.848 -176.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.48 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 21.6 p80 -63.12 -25.88 68.56 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.941 0.4 . . . . 0.0 110.916 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.679 ' HG3' ' SD ' ' B' ' 42' ' ' MET . 32.1 ttm180 -68.33 -36.88 79.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.36 -34.37 74.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.803 175.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.64 ' HD2' HG21 ' B' ' 80' ' ' THR . 30.5 ttp85 -56.38 -45.97 80.28 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.507 174.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.486 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -72.36 -38.0 68.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 89.8 mmm -64.35 -25.48 68.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.716 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -55.19 -49.81 70.96 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.301 0.376 . . . . 0.0 110.744 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.2 m -76.56 -30.33 57.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.936 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.48 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -58.71 -58.62 7.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.654 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.5 ttt -58.82 -40.57 84.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.753 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.76 80.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.451 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.472 ' HB1' ' OE2' ' A' ' 76' ' ' GLU . . . -71.92 -29.11 63.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.152 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 35.9 mt-10 -64.03 -18.01 63.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.783 -0.19 . . . . 0.0 110.952 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.4 t -92.86 -47.77 13.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.923 0.392 . . . . 0.0 110.765 173.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.33 -53.03 56.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.46 -174.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.58 ' HG2' ' HB ' ' B' ' 68' ' ' THR . 1.9 mp0 -61.46 -31.67 71.64 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.44 ' O ' HG22 ' A' ' 80' ' ' THR . 76.9 t -66.31 -35.27 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.161 0.505 . . . . 0.0 110.271 176.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.423 HG22 HG12 ' A' ' 89' ' ' VAL . 48.1 t -73.34 -43.14 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.715 177.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.447 ' HB2' HG23 ' A' ' 120' ' ' VAL . . . -74.16 -14.4 60.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -175.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 77' ' ' VAL . 6.0 t -90.26 1.93 55.98 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.046 0.45 . . . . 0.0 111.275 -176.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.6 p -88.4 163.53 36.04 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.524 -178.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -58.75 159.87 19.48 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.717 2.278 . . . . 0.0 111.549 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.65 -27.77 69.05 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.163 1.909 . . . . 0.0 111.651 -175.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -78.68 -21.56 48.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.751 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.406 ' O ' HG23 ' A' ' 89' ' ' VAL . 7.7 t -100.86 -23.48 14.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.315 -176.161 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -48.02 -61.28 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.599 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.3 m -60.72 -36.03 77.81 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.261 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.8 -45.26 83.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.738 0.304 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.423 HG12 HG22 ' A' ' 78' ' ' VAL . 57.4 t -72.15 -43.63 66.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.435 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -56.63 -51.04 70.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.449 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -59.05 -45.12 91.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.8 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.1 m -63.28 -49.51 73.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.993 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.2 mm -64.74 -49.56 79.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.782 178.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.43 -41.81 73.36 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.32 -0.467 . . . . 0.0 112.628 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.99 -39.14 66.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.66 0.267 . . . . 0.0 110.848 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.411 ' SG ' HD12 ' A' ' 22' ' ' LEU . 45.0 t -68.52 -30.52 69.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.831 -175.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.879 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 7.8 mp -60.07 -40.71 90.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.179 0.514 . . . . 0.0 110.184 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -63.77 -43.31 96.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.257 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 10.8 mm-40 -65.01 -52.17 57.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.338 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.0 m -57.35 -39.77 76.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.949 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 17.7 mmt -63.96 -40.69 96.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.995 0.426 . . . . 0.0 110.167 176.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 47.6 tpp -65.03 -32.17 73.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.846 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 81.6 mm-40 -82.69 -31.89 28.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.344 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.58 -61.55 1.77 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.836 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.447 HG21 HG21 ' A' ' 8' ' ' ILE . 62.5 p -98.68 -30.52 12.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.115 0.483 . . . . 0.0 111.103 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.86 4.47 57.84 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -176.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.8 m -136.26 132.51 35.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.9 t -82.12 105.37 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.679 0.276 . . . . 0.0 110.873 -178.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -76.55 136.13 39.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.841 172.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -100.15 -19.0 16.66 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.355 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.59 74.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 111.107 -176.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -72.43 -48.81 38.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.202 178.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.718 ' HA ' HD23 ' A' ' 97' ' ' LEU . 14.8 m -55.89 -43.67 77.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.143 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.429 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 61.5 t30 -70.19 -39.59 75.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.997 0.427 . . . . 0.0 110.806 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.66 -45.83 88.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.102 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.558 HG21 HD21 ' A' ' 97' ' ' LEU . 58.1 t -61.41 -35.03 63.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.8 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.1 mmt -69.99 -41.73 74.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.006 -177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 26.7 mm-40 -68.37 -36.75 79.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.585 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 116' ' ' VAL . 27.9 mt -59.8 -51.89 67.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.086 177.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 79' ' ' ALA . 12.1 p -70.63 -36.72 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.696 -175.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -69.92 -31.54 69.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.62 0.247 . . . . 0.0 110.642 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -66.19 -45.4 80.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.3 mt -73.38 -20.83 60.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.439 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.323 -0.568 0 CA-C-O 121.002 0.429 . . . . 0.0 110.349 -179.65 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.457 ' CG2' HG21 ' B' ' 105' ' ' THR . 12.3 pt . . . . . 0 CA--C 1.527 0.094 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -77.86 10.97 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.005 0.431 . . . . 0.0 111.491 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.3 p -66.54 -28.37 68.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.519 0.676 . . . . 0.0 109.379 169.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -120.65 115.77 32.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.29 174.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -70.06 -33.44 15.46 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.433 2.089 . . . . 0.0 113.097 -172.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -76.08 -40.97 51.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.079 0.466 . . . . 0.0 110.299 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.75 -41.65 87.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.514 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -35.35 80.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.727 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.7 ttm -61.42 -25.52 67.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.849 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 47.3 m -65.19 -36.56 84.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.175 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.494 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -64.97 -42.78 94.27 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.827 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -43.84 95.09 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.606 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -62.82 -43.23 99.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.557 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -65.67 -38.19 88.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.092 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.723 HD21 HD12 ' B' ' 97' ' ' LEU . 31.4 mt -56.82 -43.43 80.99 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.213 177.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.94 -39.22 84.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.78 0.324 . . . . 0.0 110.696 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.82 -36.96 81.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.578 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 30.8 p -80.71 -38.11 29.43 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.655 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.4 85.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 111.331 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 32.9 t -65.21 -25.57 67.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.613 -175.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -97.79 1.44 48.35 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.49 -176.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 89.2 p -81.97 -51.12 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.542 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.48 3.53 62.88 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.774 -177.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.432 ' HB ' HD12 ' B' ' 32' ' ' LEU . 5.6 t -85.39 -36.53 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.246 0.546 . . . . 0.0 110.569 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.432 HD12 ' HB ' ' B' ' 31' ' ' VAL . 6.0 mp -91.29 151.13 21.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.796 -176.106 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 67.4 p -87.47 170.4 11.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.892 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.03 -30.8 71.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.152 0.501 . . . . 0.0 110.559 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.9 -57.45 11.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.579 177.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.707 ' HB3' HG13 ' B' ' 77' ' ' VAL . 46.9 mt-30 -60.9 -41.56 96.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.514 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 68.4 mmm -64.04 -34.31 77.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.818 -177.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.427 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 14.5 t70 -69.78 -38.27 76.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' B' ' 42' ' ' MET . 55.7 m-20 -60.74 -43.33 98.08 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.255 0.55 . . . . 0.0 110.412 176.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.472 ' O ' ' HB3' ' B' ' 43' ' ' MET . 84.5 mtp -66.99 -31.42 71.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.028 0.442 . . . . 0.0 110.646 178.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.96 -45.92 84.77 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.077 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.679 ' SD ' ' HG3' ' A' ' 62' ' ' ARG . 24.7 ptt? -67.24 -26.79 66.76 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.78 0.324 . . . . 0.0 110.304 177.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' MET . . . . . 0.472 ' HB3' ' O ' ' B' ' 40' ' ' MET . 47.8 ttp -58.38 -53.61 56.41 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.021 0.438 . . . . 0.0 110.372 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.29 93.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.07 -40.34 78.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.698 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 22.4 p -64.25 -42.04 96.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.492 0.187 . . . . 0.0 110.987 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 43' ' ' MET . 46.6 t -62.66 -39.07 83.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.341 0.591 . . . . 0.0 109.818 175.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -64.94 -46.27 82.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.729 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 5.3 p -70.42 -26.86 63.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.587 -177.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -66.18 -37.91 86.77 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 42.7 mtp -68.78 -27.67 66.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.587 175.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.94 -30.28 70.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.148 0.499 . . . . 0.0 110.03 174.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -82.21 -47.79 12.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.357 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 62.0 mtm -75.22 -49.36 19.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.235 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.84 -133.02 22.49 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.782 -175.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -80.63 157.11 21.64 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.931 2.421 . . . . 0.0 112.461 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 54.36 70.8 1.54 Allowed Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.893 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -81.53 156.01 18.76 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.069 1.846 . . . . 0.0 113.428 -176.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.461 ' HG2' ' HB2' ' B' ' 62' ' ' ARG . 55.8 Cg_endo -71.38 115.24 4.2 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 123.506 2.804 . . . . 0.0 111.771 176.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -55.67 -40.06 71.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.18 -176.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' HIS . . . . . 0.805 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 29.3 p80 -64.99 -36.07 83.21 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.608 -176.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.461 ' HB2' ' HG2' ' B' ' 59' ' ' PRO . 72.8 mtt180 -66.34 -28.98 69.08 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.089 -0.644 . . . . 0.0 109.963 177.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.86 -36.13 67.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.886 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.805 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 23.9 ptt180 -64.65 -37.51 87.83 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.64 -42.02 52.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.025 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.513 ' HA ' ' HB3' ' B' ' 69' ' ' ALA . 90.7 mmm -66.84 -25.1 66.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.385 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.4 ' O ' ' HE1' ' B' ' 112' ' ' PHE . 26.0 t-20 -52.37 -55.61 20.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.277 0.56 . . . . 0.0 110.09 173.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.58 ' HB ' ' HG2' ' A' ' 76' ' ' GLU . 17.4 m -80.13 -23.72 40.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.214 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' B' ' 66' ' ' MET . . . -58.34 -52.57 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.187 176.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 17.6 ttt -56.96 -43.96 82.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.485 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.67 88.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.598 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.81 -32.44 72.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.247 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 42.7 mt-10 -62.6 -46.89 86.2 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.43 ' O ' HG23 ' B' ' 78' ' ' VAL . 82.8 t -61.21 -44.86 99.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.443 175.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.53 91.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.225 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.486 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 25.5 tp10 -59.91 -42.18 93.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.638 176.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.707 HG13 ' HB3' ' B' ' 36' ' ' GLN . 75.4 t -63.81 -44.91 98.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.045 178.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 74' ' ' VAL . 65.5 t -69.4 -44.42 80.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.322 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.66 -33.47 76.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.805 0.336 . . . . 0.0 111.45 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' THR . . . . . 0.64 HG21 ' HD2' ' A' ' 64' ' ' ARG . 16.7 m -85.24 77.84 9.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.316 0.579 . . . . 0.0 110.414 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 60.4 p -154.02 162.17 27.48 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.0 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -56.97 148.6 67.04 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.421 2.081 . . . . 0.0 111.324 173.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.69 -19.1 66.73 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.293 1.995 . . . . 0.0 111.812 -175.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -86.2 -20.76 28.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.256 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.413 ' O ' HG23 ' B' ' 89' ' ' VAL . 18.3 t -107.48 -23.83 12.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.089 -175.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -43.99 -59.2 2.4 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.187 0.517 . . . . 0.0 112.154 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m -58.58 -32.36 68.88 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.58 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.81 -46.3 31.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.595 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.429 HG22 HG12 ' B' ' 31' ' ' VAL . 58.1 t -58.69 -44.55 90.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.271 0.558 . . . . 0.0 109.914 177.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -56.98 -50.56 72.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.492 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -63.12 -38.03 89.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.138 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 61.7 m -63.32 -48.48 77.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.363 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.7 mm -65.65 -46.5 89.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.1 -37.72 92.06 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.547 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.49 -42.76 70.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 178.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 46.4 t -71.03 -27.37 63.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.843 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.723 HD12 HD21 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -55.49 -46.33 76.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.045 177.031 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.56 ' HG3' HG21 ' B' ' 108' ' ' VAL . 38.7 ttp180 -60.3 -50.56 73.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.958 178.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -59.06 -50.28 74.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.99 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 73.1 m -54.5 -42.88 71.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.972 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.556 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 15.6 mmt -65.99 -43.1 88.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.811 0.338 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 46.8 tpp -62.09 -38.72 89.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.963 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -83.32 -17.49 42.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.8 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.45 -53.09 4.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.817 0.341 . . . . 0.0 111.693 -177.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.457 HG21 ' CG2' ' B' ' 8' ' ' ILE . 67.7 p -109.7 -43.01 4.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.685 -173.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.92 -11.82 7.76 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 68.2 m -130.83 142.69 50.4 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.56 HG21 ' HG3' ' B' ' 98' ' ' ARG . 3.7 p -91.45 104.99 16.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.502 0.668 . . . . 0.0 111.01 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -71.56 129.67 39.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.52 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.26 -24.81 23.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.631 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.74 -54.41 45.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.966 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.456 ' O ' HG23 ' B' ' 116' ' ' VAL . 76.9 t80 -66.89 -46.04 76.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.445 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.58 ' HA ' HD23 ' B' ' 97' ' ' LEU . 59.8 m -56.61 -44.13 80.83 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.315 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 114' ' ' ASN . . . . . 0.556 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 65.6 t30 -72.72 -38.05 67.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.608 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.81 -41.98 92.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.383 -178.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 112' ' ' PHE . 58.4 t -59.53 -39.26 78.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.127 0.489 . . . . 0.0 109.992 177.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 20.2 mmt -67.06 -44.85 79.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.079 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 44.4 mt-30 -57.52 -43.1 84.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.757 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.92 -51.25 67.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.452 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.0 p -72.18 -32.33 42.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.511 -174.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' B' ' 125' ' ' ALA . 58.0 mtpt -75.01 -7.94 55.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.0 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -100.32 -50.82 3.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.931 0.396 . . . . 0.0 110.538 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.79 -38.67 86.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.868 -176.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 33.1 t -97.8 13.9 28.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.172 -176.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' B' ' 121' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.185 0.517 . . . . 0.0 111.564 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.836 ' HB ' HG21 ' A' ' 105' ' ' THR . 2.7 pp . . . . . 0 C--O 1.232 0.182 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.401 ' CE2' ' HA ' ' A' ' 67' ' ' ASN . 75.3 m95 -71.9 8.74 1.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.871 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.5 m -65.34 -23.58 67.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.307 0.575 . . . . 0.0 109.485 172.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -122.19 114.2 30.75 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.02 176.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -70.78 -33.95 11.93 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.735 2.29 . . . . 0.0 112.715 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -68.21 -41.99 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.428 . . . . 0.0 109.866 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.41 95.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.713 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.35 99.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.657 177.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.1 ttm -62.53 -29.84 70.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.531 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.8 m -65.05 -36.78 85.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.966 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.466 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 0.2 OUTLIER -65.48 -42.08 92.6 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 176.621 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -44.87 95.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.348 176.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -64.04 -44.17 93.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.824 178.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -59.4 -40.53 86.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.695 HD21 HD12 ' A' ' 97' ' ' LEU . 29.2 mt -62.28 -42.02 98.99 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.174 -0.211 . . . . 0.0 111.325 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.42 -44.8 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.681 0.277 . . . . 0.0 110.62 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -62.23 -45.78 91.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.073 0.463 . . . . 0.0 110.069 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.6 t -60.73 -42.67 97.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.508 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -68.23 -41.67 80.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.094 0.473 . . . . 0.0 111.255 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 t -67.7 -33.63 75.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.139 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -86.33 -24.02 26.01 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.302 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 p -74.62 -41.89 59.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.075 0.464 . . . . 0.0 110.094 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.97 19.82 78.54 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.649 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.403 ' CG1' HD12 ' A' ' 32' ' ' LEU . 14.5 p -88.55 -18.24 8.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.064 0.459 . . . . 0.0 110.139 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.519 ' HB3' ' HB2' ' A' ' 36' ' ' GLN . 5.3 mp -95.72 152.16 18.71 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.548 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.3 p -85.46 178.42 7.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.298 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -43.13 91.63 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.973 ' HB3' HH22 ' B' ' 64' ' ' ARG . 1.1 m-20 -52.43 -58.5 6.52 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.906 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.567 ' HB3' HG13 ' A' ' 77' ' ' VAL . 48.4 mt-30 -60.08 -46.98 87.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.149 -175.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.6 mmm -59.99 -46.18 90.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.826 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.403 ' OD2' ' HE1' ' B' ' 61' ' ' HIS . 29.4 t70 -68.23 -33.92 75.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.019 0.438 . . . . 0.0 111.077 -174.368 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.483 ' HA ' ' NH1' ' B' ' 62' ' ' ARG . 65.6 m-20 -71.64 -35.42 70.39 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.814 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' A' ' 43' ' ' MET . 92.5 mtp -65.05 -34.27 78.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.014 0.435 . . . . 0.0 110.185 174.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.79 -40.82 99.33 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.655 174.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.444 ' SD ' ' HG3' ' B' ' 62' ' ' ARG . 53.3 ttp -64.0 -35.42 80.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 110.693 176.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.486 ' O ' HG23 ' A' ' 47' ' ' VAL . 43.6 ttp -58.44 -46.13 87.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 177.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.94 89.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.972 0.415 . . . . 0.0 110.773 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.48 -38.76 77.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.49 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 p -66.67 -39.87 88.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.685 0.278 . . . . 0.0 111.042 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 43' ' ' MET . 41.6 t -65.67 -35.63 75.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.253 0.549 . . . . 0.0 109.957 175.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -72.01 -48.89 41.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.575 -177.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.499 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 8.1 p -62.61 -40.14 96.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.581 -175.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.536 ' HB3' ' HE2' ' A' ' 54' ' ' MET . 92.5 mt-30 -58.2 -39.37 78.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.855 0.36 . . . . 0.0 110.894 177.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 88.0 mmm -62.63 -49.25 75.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.27 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -70.44 -21.15 62.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.382 -177.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 49' ' ' SER . 41.1 mtpt -78.81 -47.46 16.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.387 176.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.536 ' HE2' ' HB3' ' A' ' 50' ' ' GLN . 74.3 mtm -79.79 -55.4 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.809 -174.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.31 -159.8 27.17 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.109 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -84.28 -14.02 7.22 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.638 2.225 . . . . 0.0 113.07 -176.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -135.5 81.72 41.65 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-O 121.15 0.5 . . . . 0.0 110.699 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -63.18 158.53 43.72 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.994 2.463 . . . . 0.0 112.398 173.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.539 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 40.7 Cg_endo -66.96 154.96 72.89 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.947 2.431 . . . . 0.0 112.258 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 28.1 mm-40 -58.07 -43.2 86.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.161 -177.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.62 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 30.3 p80 -60.8 -35.15 75.75 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.865 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.539 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 3.0 tmt_? -66.14 -38.95 89.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.799 0.333 . . . . 0.0 110.343 -177.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.96 -49.98 70.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.369 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.62 ' HE ' ' HA ' ' A' ' 61' ' ' HIS . 10.1 ptt180 -72.37 -21.05 61.35 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.924 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.896 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -76.35 -51.15 12.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.935 0.397 . . . . 0.0 110.691 175.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.527 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 99.7 mmm -63.73 -22.06 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.293 -177.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.401 ' HA ' ' CE2' ' A' ' 9' ' ' TRP . 41.6 t30 -50.85 -53.24 33.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.127 0.489 . . . . 0.0 109.992 170.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 57.3 m -76.85 -33.06 57.92 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.072 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.527 ' HB3' ' HA ' ' A' ' 66' ' ' MET . . . -60.79 -54.68 42.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.654 0.264 . . . . 0.0 111.304 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.41 ' HE2' ' CZ ' ' A' ' 112' ' ' PHE . 20.7 ttt -59.38 -44.22 92.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.48 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.96 99.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.129 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.416 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -64.14 -38.09 89.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.019 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -62.04 -48.82 78.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.689 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 78' ' ' VAL . 73.1 t -58.95 -45.73 91.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.827 0.346 . . . . 0.0 110.629 177.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.89 -43.47 98.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.378 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.76 -45.73 91.35 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.567 HG13 ' HB3' ' A' ' 36' ' ' GLN . 39.3 t -58.03 -50.76 76.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.37 177.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 74' ' ' VAL . 95.6 t -61.69 -45.08 99.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.647 0.261 . . . . 0.0 111.384 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HB2' HG23 ' A' ' 120' ' ' VAL . . . -64.01 -19.61 65.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.59 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.3 m -91.22 69.18 6.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.256 0.55 . . . . 0.0 110.199 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 56.9 p -152.33 152.99 30.26 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.416 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.01 143.11 99.19 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.284 1.989 . . . . 0.0 111.241 175.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.35 -24.74 36.15 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.227 2.618 . . . . 0.0 112.419 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -60.23 -50.04 75.22 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.569 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.5 m -107.07 4.23 26.72 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.909 -173.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -55.47 -48.75 74.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 110.787 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.3 t -62.24 -38.91 91.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.549 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.66 -48.99 72.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.9 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.13 -46.41 96.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.946 0.403 . . . . 0.0 110.199 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -57.83 -50.09 74.45 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.493 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -58.57 -43.97 89.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.08 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.3 m -59.42 -50.37 74.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.37 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.46 HG23 HD13 ' A' ' 97' ' ' LEU . 1.5 mm -66.8 -48.97 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.073 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.48 -32.23 82.4 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.934 -0.651 . . . . 0.0 113.213 -176.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.54 -38.21 26.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.669 -0.313 . . . . 0.0 110.905 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.0 t -77.18 -25.11 51.49 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.695 HD12 HD21 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -50.55 -53.32 31.25 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.146 176.423 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -57.26 -50.06 74.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.138 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 7.0 mm-40 -64.28 -47.1 80.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.97 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 61.9 m -51.34 -39.86 57.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.402 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.466 ' SD ' ' HG3' ' A' ' 18' ' ' MET . 15.0 mmt -64.38 -44.71 90.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.829 0.347 . . . . 0.0 110.761 177.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.4 ttm -70.24 -26.27 63.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.988 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 32.2 mm-40 -77.68 -35.87 51.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.132 0.491 . . . . 0.0 110.194 177.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.76 -68.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.374 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.836 HG21 ' HB ' ' A' ' 8' ' ' ILE . 72.0 p -89.49 -40.26 12.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.189 0.518 . . . . 0.0 110.869 -176.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.58 -1.77 30.7 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -176.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.5 m -129.82 134.3 47.47 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 63.9 t -75.78 101.95 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.938 0.399 . . . . 0.0 110.976 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -75.58 101.39 4.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.318 175.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -76.58 -20.68 56.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.812 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.66 -52.43 57.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.834 0.35 . . . . 0.0 110.496 -178.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.41 ' CZ ' ' HE2' ' A' ' 70' ' ' MET . 79.2 t80 -66.82 -49.27 66.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.212 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.65 ' HA ' HD23 ' A' ' 97' ' ' LEU . 28.6 m -55.08 -44.88 75.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.718 -178.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -66.99 -42.92 84.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.729 0.299 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.21 -41.63 89.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 -175.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 82.5 t -58.2 -40.45 77.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.902 0.382 . . . . 0.0 110.973 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 8.6 mmt -69.95 -37.95 75.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.226 -176.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -70.4 -40.9 73.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.487 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 72' ' ' ALA . 13.9 mt -58.69 -47.7 83.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.344 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.468 HG23 ' HB2' ' A' ' 79' ' ' ALA . 14.4 p -71.71 -36.42 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.962 -176.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -66.1 -33.82 76.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.643 0.259 . . . . 0.0 110.783 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 37.4 ttp -68.63 -39.0 80.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 83.4 mt -74.42 -32.35 62.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.205 0.526 . . . . 0.0 111.007 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--N 1.314 -0.951 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.177 179.541 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.87 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.5 pp . . . . . 0 N--CA 1.462 0.156 0 CA-C-O 120.828 0.347 . . . . 0.0 111.65 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' TRP . . . . . 0.512 ' O ' HD13 ' B' ' 63' ' ' LEU . 87.3 m95 -79.7 12.19 2.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.425 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.5 m -60.08 -30.0 68.94 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.519 0.676 . . . . 0.0 109.702 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -130.46 111.16 16.43 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.457 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -67.2 -26.36 42.35 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.085 2.523 . . . . 0.0 112.409 -173.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -67.38 -36.79 82.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.123 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.37 -42.03 65.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.256 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.65 97.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.642 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 43.1 ttm -63.48 -27.24 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.519 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 63.2 m -67.28 -37.21 83.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.192 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.486 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.3 OUTLIER -62.64 -39.53 94.16 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 175.739 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -63.0 -47.29 83.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.804 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -67.12 -39.91 86.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.981 -178.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -61.82 -36.92 82.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.985 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.695 HD21 HD12 ' B' ' 97' ' ' LEU . 54.5 mt -59.73 -47.29 86.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.065 177.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.453 HG22 ' HB3' ' B' ' 40' ' ' MET . 90.5 t -61.72 -45.39 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.962 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.451 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 52.5 mt-30 -61.48 -42.68 99.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.038 0.447 . . . . 0.0 110.193 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 31.1 t -64.32 -41.81 96.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.823 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.534 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -63.6 -37.23 86.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.947 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 39.8 t -70.34 -21.61 62.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.715 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' B' ' 24' ' ' GLN . 53.5 mtp180 -80.79 -35.5 33.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.827 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.9 p -80.39 -48.13 13.37 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.981 -177.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.91 23.33 78.15 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.07 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.1 p -88.24 -5.67 10.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.625 0.726 . . . . 0.0 109.963 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.534 HD13 ' HB1' ' B' ' 26' ' ' ALA . 4.9 mp -104.57 160.87 14.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.568 -178.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 35.0 p -89.21 173.6 8.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.804 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.08 96.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.745 0.307 . . . . 0.0 110.738 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.576 ' OD2' ' HB3' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -54.84 -48.83 72.36 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.756 175.866 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.662 ' HB3' HG13 ' B' ' 77' ' ' VAL . 27.0 mt-30 -68.11 -44.44 76.17 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.255 -177.168 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 80.7 mmm -63.01 -45.69 91.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.641 0.257 . . . . 0.0 111.229 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -69.42 -25.52 64.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.353 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -72.91 -44.06 61.7 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.203 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.453 ' HB3' HG22 ' B' ' 23' ' ' VAL . 88.6 mtp -61.99 -38.76 89.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.255 176.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.95 -42.48 96.83 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.436 175.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -60.27 -42.61 95.77 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.836 0.35 . . . . 0.0 110.293 175.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 39.6 ttp -54.79 -52.05 63.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.089 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.92 95.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.53 -34.08 77.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.209 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 65.1 m -62.13 -50.49 71.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.584 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 24.3 t -58.58 -42.36 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 121.372 0.606 . . . . 0.0 109.825 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -60.29 -47.32 86.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.088 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.448 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 20.5 m -69.56 -43.26 73.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.27 -178.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -58.83 -41.6 87.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.656 0.265 . . . . 0.0 111.046 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -57.0 -48.61 78.05 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.079 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -82.77 -7.91 59.62 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 49' ' ' SER . 9.6 mtpm? -81.03 -9.78 59.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.327 0.584 . . . . 0.0 109.926 170.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' MET . . . . . 0.556 ' SD ' ' HG2' ' B' ' 62' ' ' ARG . 74.9 mtm -112.21 -172.52 2.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.587 177.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.75 179.7 51.29 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.373 -0.917 . . . . 0.0 111.906 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.6 -14.36 39.37 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.512 2.141 . . . . 0.0 112.456 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -128.91 84.61 62.55 Favored Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.699 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.42 157.0 53.9 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.459 2.106 . . . . 0.0 112.712 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.658 ' HG2' ' HD3' ' B' ' 62' ' ' ARG . 31.6 Cg_endo -65.3 147.4 87.67 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.695 2.263 . . . . 0.0 111.907 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -66.57 -30.93 71.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.827 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' HIS . . . . . 0.574 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 25.8 p80 -68.28 -20.4 64.78 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.227 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.658 ' HD3' ' HG2' ' B' ' 59' ' ' PRO . 2.9 mpt_? -68.64 -38.94 80.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.512 HD13 ' O ' ' B' ' 9' ' ' TRP . 75.9 mt -68.05 -39.86 82.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.934 -177.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.973 HH22 ' HB3' ' A' ' 35' ' ' ASP . 23.6 ptt180 -64.73 -39.37 93.52 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.708 0.289 . . . . 0.0 110.343 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.55 -38.45 65.23 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 111.046 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 86.5 mmm -68.8 -29.78 68.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.151 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.497 ' HA ' ' CZ2' ' B' ' 9' ' ' TRP . 7.7 t30 -54.88 -50.56 68.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.228 0.537 . . . . 0.0 110.225 175.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.416 HG22 ' HB1' ' A' ' 72' ' ' ALA . 18.3 m -70.86 -35.77 72.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.963 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.83 -51.33 67.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.842 0.353 . . . . 0.0 111.328 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.0 ttt -60.67 -47.0 88.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.717 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.39 98.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.221 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.01 94.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.449 ' O ' HG23 ' B' ' 77' ' ' VAL . 24.8 mm-40 -62.41 -48.46 79.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.146 178.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.477 ' O ' HG23 ' B' ' 78' ' ' VAL . 58.7 t -57.72 -45.35 86.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.968 0.413 . . . . 0.0 110.539 176.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.93 96.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.784 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.896 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 18.4 tp10 -57.51 -49.7 75.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.256 176.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.662 HG13 ' HB3' ' B' ' 36' ' ' GLN . 54.1 t -52.1 -49.61 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.954 178.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.477 HG23 ' O ' ' B' ' 74' ' ' VAL . 58.4 t -64.13 -41.35 92.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.07 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.38 2.02 26.61 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 39.1 m -92.12 -11.61 35.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.215 0.531 . . . . 0.0 110.259 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 89.6 p -74.5 160.6 80.79 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.46 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' PRO . . . . . 0.454 ' HB2' ' HG2' ' B' ' 84' ' ' GLN . 18.8 Cg_exo -66.31 146.27 80.36 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.217 1.945 . . . . 0.0 110.557 173.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -55.19 -32.23 79.39 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.552 2.168 . . . . 0.0 111.988 -176.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' GLN . . . . . 0.454 ' HG2' ' HB2' ' B' ' 82' ' ' PRO . 13.8 pt20 -66.41 -17.9 65.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.002 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.401 ' O ' HG23 ' B' ' 89' ' ' VAL . 68.2 m -123.5 4.75 8.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 -177.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' TYR . . . . . 0.532 ' OH ' HG22 ' B' ' 120' ' ' VAL . 38.4 t80 -55.01 -58.09 9.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.416 -176.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 69.9 m -61.61 -35.41 77.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.461 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.28 96.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.927 0.394 . . . . 0.0 110.551 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 85' ' ' SER . 56.8 t -70.14 -45.36 76.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.196 177.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -57.59 -50.98 71.33 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.709 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -58.99 -36.17 74.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.969 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 87.9 m -67.53 -50.56 58.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.805 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.476 HG23 HD13 ' B' ' 97' ' ' LEU . 1.4 mm -64.93 -46.65 91.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.956 178.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.77 -40.88 97.22 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.853 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.25 -35.48 66.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.791 0.329 . . . . 0.0 111.301 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.79 -14.95 40.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.845 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.695 HD12 HD21 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -56.77 -47.07 80.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.473 0.654 . . . . 0.0 109.516 171.204 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.403 ' HG3' HG21 ' B' ' 108' ' ' VAL . 53.2 ttt180 -58.46 -49.67 76.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.583 176.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -58.85 -48.25 82.0 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.912 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' SER . . . . . 0.439 ' HB3' ' HG2' ' B' ' 18' ' ' MET . 66.7 m -55.09 -46.2 75.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.697 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.448 ' HB3' ' O ' ' B' ' 107' ' ' SER . 18.9 mmt -62.63 -39.07 92.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.94 0.4 . . . . 0.0 111.13 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' MET . . . . . 0.447 ' O ' ' HA2' ' B' ' 106' ' ' GLY . 7.1 ttm -68.19 -24.63 64.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.556 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -96.78 -20.54 18.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.044 0.45 . . . . 0.0 111.407 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.11 -57.33 3.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.894 0.378 . . . . 0.0 110.993 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.87 HG21 ' HB ' ' B' ' 8' ' ' ILE . 64.3 p -107.12 -26.79 10.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 0.0 110.745 -178.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 106' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' B' ' 102' ' ' MET . . . 99.87 -0.09 56.37 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -176.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 107' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' B' ' 101' ' ' MET . 17.0 m -135.5 135.16 40.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.485 -0.358 . . . . 0.0 110.129 -177.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.403 HG21 ' HG3' ' B' ' 98' ' ' ARG . 53.0 t -88.19 102.6 12.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.788 0.328 . . . . 0.0 110.608 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -78.27 133.59 37.66 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.868 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -91.66 -21.33 20.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.48 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.59 -52.44 60.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.646 0.26 . . . . 0.0 110.688 -176.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.468 ' O ' HG23 ' B' ' 116' ' ' VAL . 83.3 t80 -67.23 -50.2 61.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.342 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.594 ' HA ' HD23 ' B' ' 97' ' ' LEU . 43.2 m -55.14 -44.45 75.09 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.286 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 114' ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 13.2 t30 -69.75 -38.15 76.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.818 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -62.47 -42.17 99.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.626 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 112' ' ' PHE . 57.7 t -58.16 -41.03 79.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.025 0.441 . . . . 0.0 110.384 176.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 26.5 mmt -64.63 -43.15 94.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.505 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 40.5 mt-30 -62.3 -45.58 92.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.995 0.426 . . . . 0.0 110.337 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' B' ' 123' ' ' LEU . 15.8 mt -55.84 -51.48 67.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.395 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' VAL . . . . . 0.532 HG22 ' OH ' ' B' ' 86' ' ' TYR . 11.4 p -69.35 -36.25 71.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.242 -174.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -64.36 -39.1 93.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.973 0.416 . . . . 0.0 110.375 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 37.0 ttp -68.29 -38.54 81.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.063 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' B' ' 119' ' ' LEU . 86.9 mt -65.98 -29.43 69.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.029 0.443 . . . . 0.0 110.645 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 23.9 t -94.84 7.42 46.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.735 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.229 0.538 . . . . 0.0 111.496 -176.714 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.418 HD13 ' SD ' ' A' ' 101' ' ' MET . 7.4 pt . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 121.133 0.492 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.621 ' CH2' ' HG2' ' A' ' 66' ' ' MET . 77.0 m95 -88.33 31.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.438 -177.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.3 m -64.39 -38.78 92.24 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 171.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -132.28 136.88 28.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.543 174.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.53 -33.99 44.16 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.831 2.354 . . . . 0.0 112.738 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -71.94 -33.27 68.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 110.572 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.39 76.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.236 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.17 93.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.832 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.0 ttm -60.56 -26.77 67.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.063 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.5 m -65.58 -35.57 81.21 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.969 0.414 . . . . 0.0 110.302 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.82 -39.93 79.77 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 176.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -61.52 -42.47 98.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.929 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -68.77 -42.68 77.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.146 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -64.5 -34.36 78.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.496 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.716 HD21 HD12 ' A' ' 97' ' ' LEU . 32.1 mt -58.72 -39.35 80.6 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.89 0.376 . . . . 0.0 110.964 176.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.2 t -70.15 -36.98 70.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.062 0.458 . . . . 0.0 110.382 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -68.1 -45.45 73.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.56 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 29.2 p -68.81 -34.6 75.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.719 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.522 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -65.65 -40.7 92.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.153 0.502 . . . . 0.0 111.051 175.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.5 t -69.38 -34.62 74.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.045 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.56 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 12.5 ptm180 -85.24 -11.0 55.89 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.249 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 p -90.84 -41.78 11.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.958 0.408 . . . . 0.0 109.95 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.68 23.15 78.02 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.466 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.403 ' CG1' HD12 ' A' ' 32' ' ' LEU . 13.7 p -88.0 -17.0 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.264 0.554 . . . . 0.0 110.424 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.522 HD13 ' HB1' ' A' ' 26' ' ' ALA . 5.2 mp -95.39 161.56 14.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.46 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.9 p -93.41 176.64 6.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.59 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.26 83.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.651 0.262 . . . . 0.0 111.211 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -59.35 -54.1 50.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.194 0.521 . . . . 0.0 109.737 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.635 ' HB3' HG13 ' A' ' 77' ' ' VAL . 50.1 mt-30 -60.42 -46.23 90.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.047 -0.978 . . . . 0.0 111.406 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 86.2 mmm -63.49 -34.25 77.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.581 -177.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -73.2 -34.92 66.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.448 -178.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 42' ' ' MET . 10.1 m-20 -65.2 -40.8 94.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.492 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.437 ' O ' ' HB3' ' A' ' 43' ' ' MET . 87.1 mtp -66.73 -36.4 82.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.952 0.406 . . . . 0.0 110.392 176.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.92 -45.72 93.38 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.676 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.587 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -74.24 -17.61 60.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.322 . . . . 0.0 110.372 179.443 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.437 ' HB3' ' O ' ' A' ' 40' ' ' MET . 49.3 ttp -65.02 -46.8 79.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.193 0.521 . . . . 0.0 109.723 172.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.86 -31.86 73.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.534 0.683 . . . . 0.0 109.962 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.587 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 21.4 t70 -67.58 -46.1 73.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.565 178.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 p -65.8 -42.1 91.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.479 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.541 HG13 ' SD ' ' A' ' 66' ' ' MET . 73.0 t -61.47 -42.73 95.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.133 177.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -66.53 -48.25 70.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.866 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.8 p -64.08 -44.1 93.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 110.971 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.69 ' NE2' ' HB3' ' B' ' 46' ' ' SER . 11.1 mm-40 -59.84 -46.37 89.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.825 175.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' A' ' 47' ' ' VAL . 5.1 tmm? -56.27 -52.91 62.77 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.914 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -68.55 -26.25 65.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.692 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -71.88 -22.99 61.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.064 0.459 . . . . 0.0 111.01 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 73.5 mtm -92.15 -35.14 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.231 0.538 . . . . 0.0 110.041 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.25 -173.38 25.18 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.151 176.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.36 137.8 62.46 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.623 2.216 . . . . 0.0 111.8 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.5 m120 56.11 71.86 1.12 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.389 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -75.51 163.04 34.93 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 123.149 2.566 . . . . 0.0 112.533 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -65.46 143.98 77.92 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.657 2.238 . . . . 0.0 112.449 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.468 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 21.1 mt-30 -79.8 -29.08 40.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.349 -172.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.445 ' HE1' ' OD2' ' B' ' 38' ' ' ASP . 26.1 p80 -61.8 -38.03 86.58 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.142 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.423 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 63.8 mtt180 -68.91 -31.15 69.85 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.109 176.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.6 -31.33 71.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.135 176.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 57.4 mtm180 -59.98 -55.24 36.44 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.64 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -63.45 -36.21 82.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.3 -178.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.621 ' HG2' ' CH2' ' A' ' 9' ' ' TRP . 33.5 ttm -69.19 -33.57 73.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.421 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -54.67 -50.92 67.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.091 0.472 . . . . 0.0 110.562 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.546 HG22 ' HB1' ' B' ' 72' ' ' ALA . 6.7 m -72.12 -29.21 63.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.782 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.24 -53.51 55.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.841 0.353 . . . . 0.0 110.252 175.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.8 ttt -57.75 -45.68 85.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.78 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.16 97.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.573 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.553 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -71.58 -33.23 68.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.43 -178.165 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 41.5 mt-10 -60.03 -46.22 90.22 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 176.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.67 -45.93 96.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.669 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.71 94.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.963 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 21.5 tp10 -57.79 -48.29 80.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.366 176.396 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.635 HG13 ' HB3' ' A' ' 36' ' ' GLN . 56.9 t -57.92 -45.3 87.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.56 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -77.59 -47.19 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.801 -175.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.441 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . . . -64.54 -43.83 92.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.788 0.328 . . . . 0.0 111.786 -174.484 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.2 m -87.71 72.95 9.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.477 0.656 . . . . 0.0 110.612 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.485 ' HB2' ' HD2' ' A' ' 82' ' ' PRO . 59.5 p -137.67 174.48 4.29 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.107 -0.951 . . . . 0.0 108.91 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.485 ' HD2' ' HB2' ' A' ' 81' ' ' SER . 46.6 Cg_exo -56.96 139.72 90.45 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 121.898 1.732 . . . . 0.0 110.831 173.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.05 -12.03 33.65 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.37 2.047 . . . . 0.0 112.371 -172.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -96.48 -14.71 22.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.078 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 t -108.92 -16.49 14.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.8 -176.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.441 ' CE1' ' HA ' ' A' ' 79' ' ' ALA . 45.3 t80 -49.64 -51.4 38.03 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.021 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.8 t -64.17 -32.87 74.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.748 0.308 . . . . 0.0 110.979 -177.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.29 -45.05 50.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.623 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.1 t -63.5 -43.63 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.116 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.08 -49.93 76.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.509 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -58.93 -36.53 74.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.683 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.6 m -65.93 -49.69 67.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.287 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.465 HD13 ' HA ' ' A' ' 93' ' ' ILE . 2.3 mm -66.12 -45.7 89.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.511 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.48 -35.2 90.7 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.754 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.16 -40.24 53.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.832 0.348 . . . . 0.0 110.371 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.506 ' SG ' HD23 ' A' ' 22' ' ' LEU . 47.6 t -67.67 -33.94 75.93 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -178.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.716 HD12 HD21 ' A' ' 22' ' ' LEU . 1.5 mp -51.64 -46.42 63.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.091 0.472 . . . . 0.0 110.94 177.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 45.3 ttt-85 -63.38 -51.3 66.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.467 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 13.8 mm-40 -62.72 -47.46 83.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.173 -178.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.9 m -55.57 -39.27 70.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.701 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.418 ' SD ' HD13 ' A' ' 8' ' ' ILE . 15.7 mmt -65.93 -40.87 91.78 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.613 177.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 34.3 ttm -70.77 -29.39 65.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.14 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 87.1 mm-40 -80.22 -24.73 40.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.943 0.401 . . . . 0.0 110.581 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.43 -59.76 2.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.227 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 64.5 p -96.86 -41.05 8.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.907 0.384 . . . . 0.0 110.992 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 122.06 -15.94 8.8 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.683 -177.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.7 m -129.63 160.25 33.9 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.3 t -84.9 106.84 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.803 0.335 . . . . 0.0 111.314 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -78.95 114.99 18.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -90.18 -15.07 32.21 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 -177.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.68 -49.81 67.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.06 -176.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 116' ' ' VAL . 85.0 t80 -72.24 -46.95 53.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.351 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.623 ' HA ' HD23 ' A' ' 97' ' ' LEU . 24.9 m -58.24 -43.19 87.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.497 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 12.3 t30 -63.6 -39.49 94.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.749 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.61 -47.3 76.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.793 -176.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.563 ' HA ' HD12 ' A' ' 119' ' ' LEU . 53.8 t -60.01 -39.9 81.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.358 -177.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 28.3 mmt -64.69 -35.6 81.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -177.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 114' ' ' ASN . 36.8 mt-30 -74.68 -41.06 60.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.929 0.395 . . . . 0.0 110.003 177.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 116' ' ' VAL . 21.2 mt -55.91 -49.38 73.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.2 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.7 p -69.67 -33.07 54.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.125 -0.488 . . . . 0.0 112.0 -173.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -75.93 -26.74 57.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.786 0.326 . . . . 0.0 110.795 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.453 ' HE1' HD23 ' B' ' 119' ' ' LEU . 43.5 ttp -80.95 -40.72 24.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.175 176.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -33.71 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.493 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.552 -176.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' B' ' 15' ' ' ALA . 1.2 pt . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.901 0.382 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -78.92 14.34 1.41 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.26 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -66.83 -34.34 77.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.17 0.51 . . . . 0.0 109.999 173.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -118.49 114.2 36.32 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.734 172.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -57.66 -34.09 97.62 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.758 2.305 . . . . 0.0 111.751 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -65.76 -43.44 88.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.597 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.95 -44.45 80.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.504 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.448 ' HA ' HD12 ' B' ' 8' ' ' ILE . . . -60.86 -42.45 97.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.758 177.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 43.6 ttm -63.34 -31.46 72.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.627 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 31.3 m -63.61 -35.66 81.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.048 0.452 . . . . 0.0 110.061 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' MET . . . . . 1.106 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -66.69 -43.21 85.01 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 176.029 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -61.75 -45.28 94.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.102 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' B' ' 24' ' ' GLN . 89.3 m-20 -66.6 -40.98 89.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.083 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -62.14 -36.74 82.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.094 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.61 HD21 HD12 ' B' ' 97' ' ' LEU . 31.1 mt -58.88 -46.68 87.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.944 0.402 . . . . 0.0 111.259 177.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 46.3 t -66.77 -36.02 76.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.912 0.387 . . . . 0.0 110.251 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.565 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 53.0 mt-30 -65.91 -50.99 62.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.095 177.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 21.5 p -66.7 -33.84 76.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.965 0.412 . . . . 0.0 110.674 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.71 -43.13 80.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.058 0.456 . . . . 0.0 110.459 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 48.3 t -60.6 -36.94 79.78 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.1 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 8.1 ptm180 -88.21 0.92 55.52 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.3 p -87.88 -41.54 13.14 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.186 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.52 11.25 84.33 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.068 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.52 HG12 HG22 ' B' ' 89' ' ' VAL . 6.9 t -89.81 -26.76 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.152 0.501 . . . . 0.0 110.247 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -95.51 151.31 19.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.886 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 34.5 p -88.65 178.48 6.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.607 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.08 -36.05 82.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.923 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -66.86 -51.36 56.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.468 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -58.04 -46.69 84.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.392 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' MET . . . . . 0.423 ' O ' ' HG3' ' B' ' 40' ' ' MET . 60.7 mmm -63.64 -41.07 98.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.095 -177.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.445 ' OD2' ' HE1' ' A' ' 61' ' ' HIS . 37.8 t70 -73.88 -25.48 60.06 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.403 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -63.32 -57.03 11.72 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.083 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.55 ' O ' ' HB3' ' B' ' 43' ' ' MET . 0.1 OUTLIER -65.41 -28.45 69.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.487 176.332 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.08 -45.48 95.4 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 121.049 -0.596 . . . . 0.0 111.874 175.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.571 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 11.3 ptt? -75.64 -17.85 59.87 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' MET . . . . . 0.55 ' HB3' ' O ' ' B' ' 40' ' ' MET . 50.5 ttp -60.13 -54.45 45.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.66 88.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.442 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.571 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 28.4 t70 -66.65 -39.27 88.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.966 -177.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.69 ' HB3' ' NE2' ' A' ' 50' ' ' GLN . 13.0 p -69.31 -44.07 72.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.575 0.226 . . . . 0.0 110.967 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.539 HG23 ' O ' ' B' ' 43' ' ' MET . 34.7 t -59.31 -41.12 83.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-O 121.434 0.635 . . . . 0.0 109.307 174.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -61.88 -56.18 22.02 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.591 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 11.2 p -66.7 -38.75 87.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.784 -175.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.55 -37.86 89.01 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.927 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 56.9 mmm -61.23 -39.57 90.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.496 176.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -63.72 -46.33 85.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.676 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' B' ' 53' ' ' LYS . 19.9 mtpp -60.84 -46.96 88.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.748 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' MET . . . . . 0.424 ' SD ' ' HD3' ' B' ' 62' ' ' ARG . 70.1 mtm -69.16 -41.63 76.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.953 0.406 . . . . 0.0 110.269 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.81 -158.24 38.63 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.53 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.5 141.98 63.32 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.659 2.239 . . . . 0.0 111.887 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 59.04 69.98 1.24 Allowed Pre-proline 0 N--CA 1.465 0.314 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.96 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -88.86 165.62 5.97 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.808 2.338 . . . . 0.0 112.593 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.44 111.06 1.97 Allowed 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.651 2.234 . . . . 0.0 111.638 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -68.14 -21.94 64.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.726 -175.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' HIS . . . . . 0.72 ' HA ' ' HD3' ' B' ' 64' ' ' ARG . 5.3 p80 -70.45 -25.24 63.09 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.127 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.537 ' O ' ' HG2' ' B' ' 66' ' ' MET . 61.1 ttt180 -72.34 -30.67 64.95 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 176.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.04 -36.67 84.77 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.72 ' HD3' ' HA ' ' B' ' 61' ' ' HIS . 3.0 mtp85 -51.4 -54.26 28.39 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.334 172.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.963 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -66.36 -40.92 90.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.787 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 94.3 mmm -63.33 -29.81 71.05 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.63 -177.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -55.14 -56.25 21.99 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.11 0.481 . . . . 0.0 110.637 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.553 HG22 ' HB1' ' A' ' 72' ' ' ALA . 91.7 m -72.58 -28.15 62.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.035 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -60.35 -54.16 49.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.493 176.096 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.7 ttt -57.62 -45.32 85.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.002 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.24 -43.12 99.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.358 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.546 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -70.94 -36.66 72.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.287 -178.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.551 ' O ' HG23 ' B' ' 77' ' ' VAL . 50.6 mt-10 -62.23 -44.55 96.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.425 178.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.427 ' O ' HG23 ' B' ' 78' ' ' VAL . 43.6 t -59.64 -47.54 90.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.76 0.314 . . . . 0.0 110.437 175.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.42 86.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.779 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.64 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 45.2 tp10 -61.24 -48.25 82.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.536 176.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.551 HG23 ' O ' ' B' ' 73' ' ' GLU . 85.2 t -57.9 -41.95 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 74' ' ' VAL . 74.0 t -70.71 -47.83 61.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.212 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.85 -31.2 72.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.752 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 5.3 m -85.56 73.22 10.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.4 0.619 . . . . 0.0 110.483 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 72.8 p -153.95 163.53 23.66 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.007 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -62.02 146.47 96.22 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.829 1.686 . . . . 0.0 111.012 175.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -55.44 -32.64 82.91 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 111.884 -176.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -71.98 -22.1 61.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.596 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.464 ' O ' HG23 ' B' ' 89' ' ' VAL . 63.5 m -109.7 -19.02 13.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.611 -174.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -50.12 -46.76 54.06 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.671 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 47.7 t -61.24 -40.95 95.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.756 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.54 -42.2 74.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.958 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.52 HG22 HG12 ' B' ' 31' ' ' VAL . 46.8 t -63.41 -45.4 98.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.71 -50.83 72.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.546 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.58 -34.41 76.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.936 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 60.8 m -66.44 -51.42 57.11 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.18 0.514 . . . . 0.0 110.268 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.8 mm -64.85 -48.35 84.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.348 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.54 -38.36 80.36 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.934 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.19 -36.41 58.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.98 0.419 . . . . 0.0 110.598 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' CYS . . . . . 0.448 ' SG ' HD23 ' B' ' 22' ' ' LEU . 52.9 t -67.97 -32.91 73.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.394 -176.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 1.106 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 6.0 mp -59.79 -42.75 94.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.669 0.271 . . . . 0.0 111.215 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 98' ' ' ARG . 23.8 ttt85 -66.87 -37.5 84.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.952 0.406 . . . . 0.0 110.376 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.74 -52.33 26.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.029 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 70.2 m -55.08 -37.57 66.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.525 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.41 ' HE1' ' HG3' ' B' ' 18' ' ' MET . 17.8 mmt -64.85 -44.63 89.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.754 0.312 . . . . 0.0 110.619 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 14.6 ttm -70.36 -23.8 62.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.994 0.426 . . . . 0.0 111.021 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -89.29 -12.15 41.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.541 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -106.49 -53.91 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 111.464 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.421 HG21 ' HB ' ' B' ' 8' ' ' ILE . 61.6 p -105.41 -23.0 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.18 0.514 . . . . 0.0 110.82 -177.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 98.46 -14.15 62.32 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.557 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 13.0 m -121.15 160.16 24.33 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -177.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 58.9 t -96.91 106.25 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.9 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -73.61 98.73 2.91 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 172.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -80.14 -19.29 47.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.688 -176.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.41 -49.33 67.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.898 0.38 . . . . 0.0 110.372 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -66.59 -50.68 62.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.072 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.644 ' HA ' HD23 ' B' ' 97' ' ' LEU . 19.8 m -54.65 -47.55 73.41 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.158 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 114' ' ' ASN . . . . . 0.487 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 11.1 t30 -66.41 -38.13 86.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.676 0.274 . . . . 0.0 110.664 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.65 -45.26 94.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.608 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.544 ' HA ' HD12 ' B' ' 119' ' ' LEU . 95.2 t -60.32 -38.77 78.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.993 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 30.4 mmt -64.01 -36.61 84.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 39.0 mt-30 -72.09 -43.83 64.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' B' ' 116' ' ' VAL . 12.2 mt -54.52 -54.67 38.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.166 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.99 -32.07 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.616 -173.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -74.89 -34.54 62.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 45.6 ttp -69.34 -41.48 76.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.35 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.37 -32.8 74.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.777 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 34.1 t -81.39 -0.31 40.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.168 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 120.999 0.428 . . . . 0.0 110.387 178.792 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.576 HG21 HG21 ' A' ' 105' ' ' THR . 11.6 pt . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.462 ' O ' HD13 ' A' ' 63' ' ' LEU . 41.4 m95 -78.35 25.61 0.23 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -177.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -85.83 -19.03 31.24 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 169.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -123.48 113.43 29.12 Favored Pre-proline 0 N--CA 1.455 -0.221 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.774 174.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -68.04 -32.76 27.35 Favored 'Trans proline' 0 C--N 1.333 -0.276 0 C-N-CA 122.639 2.226 . . . . 0.0 112.945 -171.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -77.29 -32.03 55.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.748 0.309 . . . . 0.0 110.8 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.58 -44.27 87.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.105 0.478 . . . . 0.0 109.867 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.13 -41.03 95.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.622 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 42.7 ttm -59.54 -33.19 71.08 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.992 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.6 m -65.04 -38.29 90.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.325 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.507 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -64.1 -38.37 90.83 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.826 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -63.18 -46.99 84.5 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.737 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -66.12 -44.23 84.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.764 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -60.58 -33.59 72.94 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.344 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.709 HD21 HD12 ' A' ' 97' ' ' LEU . 48.8 mt -62.69 -43.61 98.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.744 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.1 t -65.46 -38.84 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.441 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -63.6 -44.02 95.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.583 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.1 t -59.38 -49.09 79.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.847 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' HB1' ' SD ' ' A' ' 37' ' ' MET . . . -62.3 -39.18 92.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.025 0.44 . . . . 0.0 111.055 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.1 t -70.68 -28.86 65.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.601 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -87.38 -32.61 19.49 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.884 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 p -71.87 -48.69 44.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.023 0.44 . . . . 0.0 110.471 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.25 13.14 81.59 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.198 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.59 HG13 HD12 ' A' ' 32' ' ' LEU . 14.0 p -78.7 -19.11 13.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.205 0.526 . . . . 0.0 109.999 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 31' ' ' VAL . 6.3 mp -88.34 156.31 19.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.299 177.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.6 p -87.03 171.17 10.93 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.768 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.22 -39.16 81.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.828 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.82 -51.24 70.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.064 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.494 ' HB3' HG13 ' A' ' 77' ' ' VAL . 53.2 mt-30 -63.15 -39.95 96.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.06 -178.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.423 ' SD ' ' HB1' ' A' ' 26' ' ' ALA . 82.9 mmm -64.26 -41.23 97.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.833 -178.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -70.47 -34.62 72.6 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.674 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -63.31 -44.5 94.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.234 0.54 . . . . 0.0 109.804 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.402 ' O ' ' HB3' ' A' ' 43' ' ' MET . 56.5 mmm -60.06 -41.83 93.22 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.423 175.241 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.72 -44.43 97.92 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.243 177.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.618 ' SD ' ' HG3' ' B' ' 62' ' ' ARG . 45.3 ttp -63.76 -31.79 73.08 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 121.241 -0.184 . . . . 0.0 110.839 178.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.459 ' O ' HG23 ' A' ' 47' ' ' VAL . 45.0 ttp -58.46 -52.35 66.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.926 0.393 . . . . 0.0 110.35 176.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.38 89.17 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.312 0.577 . . . . 0.0 110.779 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.24 -40.69 90.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.46 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.5 t -59.69 -47.93 83.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.701 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.501 ' O ' ' HG2' ' A' ' 51' ' ' MET . 6.4 t -61.87 -40.12 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -63.47 -52.03 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.326 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -61.36 -36.93 81.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.507 -173.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 54' ' ' MET . 15.6 mm100 -70.33 -32.4 70.11 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.015 178.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.501 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 93.6 mmm -66.8 -36.22 81.87 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.628 179.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -80.26 -17.75 51.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.986 0.422 . . . . 0.0 110.674 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HZ1' ' CG ' ' B' ' 45' ' ' ASP . 3.0 mmmm -73.67 -38.13 65.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.294 0.569 . . . . 0.0 110.126 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.563 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 21.0 ptp -94.61 -165.72 1.36 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.591 -174.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -111.45 -162.52 17.33 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.249 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -76.98 -10.59 18.07 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.99 2.46 . . . . 0.0 113.189 -176.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -139.58 77.77 27.74 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.722 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.563 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 58.5 Cg_endo -71.23 162.49 42.33 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.976 2.451 . . . . 0.0 112.611 175.001 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.407 ' O ' ' HB3' ' A' ' 62' ' ' ARG . 40.1 Cg_endo -67.16 151.56 81.14 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.706 2.271 . . . . 0.0 111.802 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -69.35 -28.92 66.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.355 -175.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.624 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 19.9 p80 -66.71 -25.46 66.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.933 0.397 . . . . 0.0 110.476 178.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.531 ' NH1' ' HG3' ' A' ' 66' ' ' MET . 0.2 OUTLIER -61.95 -36.47 81.53 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 175.623 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 9' ' ' TRP . 66.8 mt -75.59 -36.89 60.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.703 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 28.3 ptt180 -68.94 -37.08 78.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.687 -178.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.01 -46.19 58.14 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.014 0.435 . . . . 0.0 111.032 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.531 ' HG3' ' NH1' ' A' ' 62' ' ' ARG . 96.0 mmm -69.19 -24.04 63.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.839 -178.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -56.69 -51.06 70.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.136 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.502 HG22 ' HB1' ' B' ' 72' ' ' ALA . 7.6 m -71.85 -36.85 70.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.498 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -58.77 -51.04 71.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.634 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.1 ttt -58.86 -46.48 87.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.733 0.301 . . . . 0.0 110.85 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.85 95.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.465 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.552 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -65.68 -34.82 79.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.573 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.487 ' O ' HG23 ' A' ' 77' ' ' VAL . 43.9 mt-10 -62.87 -49.67 73.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.024 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.8 t -57.07 -43.27 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 121.05 0.452 . . . . 0.0 110.672 177.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.42 98.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.989 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.679 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 44.7 tp10 -58.98 -37.28 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.224 176.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.494 HG13 ' HB3' ' A' ' 36' ' ' GLN . 59.3 t -65.54 -38.62 82.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.329 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.3 t -87.52 -40.94 14.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.423 ' HB2' HG23 ' A' ' 120' ' ' VAL . . . -66.28 -24.34 66.55 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -173.331 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.7 p -91.16 7.58 39.94 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 95.4 p -88.74 158.68 47.56 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.467 -177.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.12 141.45 96.46 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.49 2.127 . . . . 0.0 111.332 176.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.71 -16.15 53.06 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.499 2.133 . . . . 0.0 112.204 -173.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -80.41 -7.79 59.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.994 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.5 m -136.96 1.49 2.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.028 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -57.6 -51.89 67.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.17 -178.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 p -66.19 -33.81 76.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.185 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.87 -52.46 50.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.814 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.462 HG13 ' HG ' ' A' ' 32' ' ' LEU . 68.4 t -62.57 -42.02 94.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.347 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.862 HD11 HG11 ' A' ' 120' ' ' VAL . 28.3 tp -63.0 -43.47 98.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.828 -178.042 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -65.1 -37.73 88.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.649 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 73.9 m -64.58 -47.14 79.79 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.077 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.438 HG23 HD13 ' A' ' 97' ' ' LEU . 1.5 mm -64.09 -49.44 81.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 177.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.61 -42.39 96.11 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.335 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -67.18 -45.42 77.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.904 0.383 . . . . 0.0 110.867 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 69.3 m -72.33 -22.18 61.21 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.883 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.709 HD12 HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -56.69 -50.5 71.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.599 0.714 . . . . 0.0 109.335 172.611 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.445 ' HA ' ' CG2' ' A' ' 108' ' ' VAL . 29.0 ttt180 -57.4 -49.15 77.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.939 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 36.2 mt-10 -68.95 -40.73 78.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.407 -176.127 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.8 m -56.82 -45.62 82.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.342 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.433 ' SD ' ' HG3' ' A' ' 18' ' ' MET . 15.0 mmt -62.58 -40.58 97.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.946 0.403 . . . . 0.0 110.459 177.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 34.1 ttm -71.4 -26.71 62.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.157 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -82.88 -27.76 30.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.787 0.327 . . . . 0.0 110.883 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.51 -60.53 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.266 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.576 HG21 HG21 ' A' ' 8' ' ' ILE . 69.8 p -97.39 -36.74 10.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.996 0.427 . . . . 0.0 111.068 -176.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.33 -9.37 8.31 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 -176.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.5 p -149.22 160.3 43.5 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.445 ' CG2' ' HA ' ' A' ' 98' ' ' ARG . 2.7 p -93.69 119.45 41.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.109 0.48 . . . . 0.0 112.088 -175.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -76.93 134.85 38.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.413 173.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -86.85 -28.7 22.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.45 -51.59 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 111.318 -175.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -71.53 -44.58 64.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -178.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.62 ' HA ' HD23 ' A' ' 97' ' ' LEU . 30.1 m -61.69 -41.87 98.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -66.85 -41.77 86.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.492 178.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -55.91 -48.53 75.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.011 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.27 -39.46 80.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.308 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 30.4 mmt -68.35 -36.36 79.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.064 0.459 . . . . 0.0 110.465 -176.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -74.4 -38.27 63.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.707 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 72' ' ' ALA . 13.9 mt -60.04 -52.12 66.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.114 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.862 HG11 HD11 ' A' ' 90' ' ' LEU . 13.8 p -63.84 -33.25 60.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.534 -174.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -67.59 -49.24 64.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.361 176.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.434 ' HE1' HD23 ' B' ' 119' ' ' LEU . 34.8 ttp -65.43 -38.98 91.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.534 -177.168 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.507 HD21 HG21 ' B' ' 68' ' ' THR . 6.7 mp -62.55 -22.82 66.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 0.0 111.404 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.8 t . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.879 -178.449 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.734 0.302 . . . . 0.0 111.568 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -73.22 71.28 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.376 0.608 . . . . 0.0 111.989 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.9 p -128.93 -1.13 5.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.805 172.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -136.22 128.74 17.56 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.767 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -69.66 -43.92 2.45 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.528 2.152 . . . . 0.0 112.327 -175.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -66.57 -40.2 88.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.058 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.3 94.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.706 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.09 -42.21 89.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.815 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 43.8 ttm -59.61 -32.32 70.3 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.811 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 50.8 m -62.0 -40.62 96.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.321 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.529 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.99 -40.6 96.74 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.373 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.28 -44.55 96.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.722 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -65.84 -44.35 85.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.85 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -61.67 -32.57 72.76 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.263 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.798 HD21 HD12 ' B' ' 97' ' ' LEU . 40.0 mt -62.83 -42.59 99.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.762 0.315 . . . . 0.0 111.224 177.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 82.4 t -63.99 -39.41 85.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.476 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.08 -47.01 87.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.186 175.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 4.0 t -56.81 -49.53 75.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.286 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.0 90.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.913 0.387 . . . . 0.0 111.179 -178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 44.8 t -69.15 -38.83 79.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.002 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -83.49 -12.4 56.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.585 0.231 . . . . 0.0 111.393 -177.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.492 ' HB2' HG23 ' B' ' 31' ' ' VAL . 26.5 p -91.41 -41.63 10.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.87 0.366 . . . . 0.0 110.608 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.88 16.22 80.55 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.455 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.492 HG23 ' HB2' ' B' ' 29' ' ' SER . 29.5 t -77.56 -32.93 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.219 0.533 . . . . 0.0 110.379 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.563 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.5 mp -94.02 153.79 17.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.87 -175.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 40.9 p -87.83 175.01 8.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.709 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.45 -40.47 78.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.736 0.303 . . . . 0.0 111.159 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.567 ' O ' ' HB2' ' B' ' 39' ' ' ASP . 32.3 t70 -60.71 -39.88 90.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.751 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.563 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 51.8 mt-30 -75.83 -40.27 55.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.803 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 80.3 mmm -63.66 -47.96 79.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.0 -29.56 68.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.019 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.567 ' HB2' ' O ' ' B' ' 35' ' ' ASP . 2.4 t0 -64.11 -50.1 69.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.98 175.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.458 ' O ' ' HB3' ' B' ' 43' ' ' MET . 85.9 mtp -64.73 -30.65 71.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.689 176.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.58 -44.24 96.83 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.879 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 47.2 ttp -65.17 -30.59 71.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 0.0 110.363 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' MET . . . . . 0.458 ' HB3' ' O ' ' B' ' 40' ' ' MET . 43.3 ttp -59.17 -52.35 66.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.641 175.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.68 94.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.118 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.433 ' CG ' ' HZ1' ' A' ' 53' ' ' LYS . 12.3 t70 -57.59 -45.17 85.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.04 177.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -56.9 -49.24 76.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 31.7 t -62.96 -43.81 99.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.832 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -64.37 -41.23 96.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.519 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 36.9 m -65.28 -45.83 82.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 -177.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.88 -35.6 81.64 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.959 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -57.16 -49.4 76.06 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.324 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -78.73 -14.35 59.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 111.368 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' B' ' 49' ' ' SER . 8.3 mmmm -71.13 -13.67 62.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.146 0.498 . . . . 0.0 110.623 173.201 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' MET . . . . . 0.453 ' SD ' ' HD2' ' B' ' 62' ' ' ARG . 72.2 mtm -118.58 -175.58 2.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.514 -177.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -119.64 -168.05 13.8 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.0 141.34 96.2 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.876 2.384 . . . . 0.0 112.624 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 53.9 t30 59.57 83.62 0.21 Allowed Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.248 -177.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -86.91 159.09 8.81 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.036 2.491 . . . . 0.0 112.227 178.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.408 ' HG2' ' CB ' ' B' ' 62' ' ' ARG . 17.8 Cg_endo -61.0 137.78 74.29 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.992 2.462 . . . . 0.0 112.157 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -75.28 -35.33 61.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.935 -174.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' HIS . . . . . 0.837 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 30.4 p80 -63.42 -27.57 69.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.408 0.623 . . . . 0.0 109.984 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.618 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 28.7 ttm180 -70.34 -27.1 64.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.199 0.523 . . . . 0.0 109.692 178.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 98.3 mt -74.92 -37.21 62.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.678 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.837 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 25.5 ptt180 -61.55 -37.48 83.93 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.679 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -67.68 -46.82 71.23 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.982 178.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 97.1 mmm -65.24 -30.89 71.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.84 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.422 ' HB3' ' O ' ' B' ' 64' ' ' ARG . 8.9 t-20 -53.27 -55.18 26.66 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.931 176.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.552 HG22 ' HB1' ' A' ' 72' ' ' ALA . 20.5 m -72.35 -28.3 62.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.933 -177.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -61.71 -54.57 40.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.552 176.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 18.8 ttt -57.83 -47.6 82.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.911 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.44 97.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.534 -178.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.502 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -67.58 -37.03 82.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.334 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 44.6 mt-10 -63.3 -46.22 87.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.509 178.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.465 ' O ' HG23 ' B' ' 78' ' ' VAL . 67.6 t -58.51 -47.89 87.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.851 0.358 . . . . 0.0 110.61 176.021 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.3 87.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.028 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.98 -48.84 80.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.185 177.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 73' ' ' GLU . 84.0 t -60.48 -35.77 65.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.34 -178.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 74' ' ' VAL . 61.6 t -78.31 -41.25 25.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.965 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.413 ' HA ' ' CE2' ' B' ' 86' ' ' TYR . . . -71.18 -44.46 65.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.54 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 3.1 m -84.27 68.48 10.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.611 0.72 . . . . 0.0 110.406 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 83.3 p -139.8 165.87 28.02 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.965 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.52 140.7 74.9 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 121.917 1.745 . . . . 0.0 111.103 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.07 -11.77 32.56 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.273 1.982 . . . . 0.0 111.863 -174.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -96.77 -6.47 36.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.716 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.437 ' O ' HG23 ' B' ' 89' ' ' VAL . 28.6 m -117.21 -13.9 10.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 -177.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' TYR . . . . . 0.442 ' OH ' HG22 ' B' ' 120' ' ' VAL . 17.9 t80 -48.34 -59.55 3.36 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.551 -178.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 9.3 m -59.87 -41.51 91.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.063 -174.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.82 -46.96 85.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.064 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 85' ' ' SER . 88.5 t -63.65 -43.89 98.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.384 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 tt -58.05 -49.36 77.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.417 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -60.85 -31.06 70.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.106 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 52.9 m -69.98 -57.6 4.82 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.095 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' B' ' 93' ' ' ILE . 3.2 mm -60.98 -45.54 98.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.248 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.95 -40.56 95.54 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 121.096 -0.573 . . . . 0.0 113.222 -177.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.16 -38.86 60.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.707 0.289 . . . . 0.0 111.23 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' CYS . . . . . 0.561 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 93.7 m -73.93 -27.09 60.85 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.325 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.798 HD12 HD21 ' B' ' 22' ' ' LEU . 0.8 OUTLIER -51.56 -40.31 59.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.394 0.616 . . . . 0.0 110.248 174.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.483 ' HG3' HG21 ' B' ' 108' ' ' VAL . 62.1 ttt-85 -66.16 -46.41 77.54 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.406 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.561 ' HG2' ' HA ' ' B' ' 96' ' ' CYS . 10.3 pt-20 -81.58 -30.79 32.87 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.599 -0.441 . . . . 0.0 111.781 -176.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 58.2 m -58.13 -42.49 85.91 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 120.718 0.295 . . . . 0.0 110.374 176.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.454 ' SD ' ' HG3' ' B' ' 18' ' ' MET . 12.5 mmt -65.1 -41.57 94.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.3 175.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 28.2 ttm -67.04 -28.49 68.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.133 -178.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' B' ' 99' ' ' GLU . 83.7 mm-40 -85.51 -16.95 37.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.976 0.417 . . . . 0.0 110.618 176.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.99 -47.66 7.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 70.1 p -110.75 -42.55 4.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.081 0.467 . . . . 0.0 111.071 -178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 130.7 -14.26 5.54 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -175.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 13.2 p -137.5 179.09 6.62 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.069 -0.565 . . . . 0.0 109.487 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.483 HG21 ' HG3' ' B' ' 98' ' ' ARG . 2.5 p -109.55 117.07 53.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.371 0.605 . . . . 0.0 111.79 -176.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -73.98 102.45 4.14 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.308 174.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -73.99 -27.6 61.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 -177.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.34 -50.27 68.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.913 0.387 . . . . 0.0 110.547 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.506 ' O ' HG23 ' B' ' 116' ' ' VAL . 90.6 t80 -64.88 -47.48 77.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.04 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.638 ' HA ' HD23 ' B' ' 97' ' ' LEU . 33.4 m -57.31 -45.52 84.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.404 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -64.38 -42.73 95.99 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.405 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.14 -44.43 94.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.105 -177.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.571 ' HA ' HD12 ' B' ' 119' ' ' LEU . 60.9 t -60.09 -35.93 64.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.843 0.354 . . . . 0.0 110.943 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 26.3 mmt -70.42 -35.16 73.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.999 0.428 . . . . 0.0 110.37 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -71.18 -39.92 71.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.321 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' B' ' 116' ' ' VAL . 15.2 mt -58.15 -53.55 56.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.257 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 120' ' ' VAL . . . . . 0.442 HG22 ' OH ' ' B' ' 86' ' ' TYR . 14.1 p -63.44 -34.05 65.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.997 -176.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -65.46 -48.02 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.778 176.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 34.5 ttp -62.63 -37.36 86.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.682 -177.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.401 HD13 ' O ' ' B' ' 119' ' ' LEU . 8.0 mp -61.53 -25.64 67.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.886 0.374 . . . . 0.0 111.198 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 34.3 t -102.66 6.13 39.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.908 0.385 . . . . 0.0 110.674 178.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.258 0.551 . . . . 0.0 111.168 -176.385 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.2 pt . . . . . 0 CA--C 1.533 0.299 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -76.61 78.33 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.711 0.767 . . . . 0.0 111.698 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.45 ' HA ' HD13 ' A' ' 63' ' ' LEU . 26.8 m -137.2 -34.36 0.72 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.811 171.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -101.54 114.85 65.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.277 171.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -59.69 -43.15 40.54 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.615 2.21 . . . . 0.0 111.814 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -68.11 -36.73 80.22 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.108 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.99 -41.8 95.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.457 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.52 86.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.379 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.429 ' CE ' ' HA ' ' A' ' 48' ' ' ASN . 42.0 ttm -60.89 -25.36 66.66 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.833 178.163 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.0 m -62.61 -41.0 98.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.194 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.617 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 7.5 ttt -64.9 -42.42 94.78 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 175.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -59.58 -44.26 93.4 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.857 -179.631 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.407 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 9.1 m120 -71.02 -45.54 63.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.366 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -61.06 -34.03 74.25 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.92 0.39 . . . . 0.0 110.613 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.669 HD11 HD12 ' A' ' 97' ' ' LEU . 12.2 tp -63.41 -48.64 76.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.207 177.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.482 HG22 ' HB3' ' A' ' 40' ' ' MET . 88.0 t -64.09 -41.34 92.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.772 178.534 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.661 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 47.2 mt-30 -60.39 -46.71 89.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.548 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.62 -48.44 77.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.761 0.315 . . . . 0.0 110.882 176.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.4 96.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.128 0.489 . . . . 0.0 111.079 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.2 t -66.85 -28.03 68.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.921 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.661 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 32.8 mtp180 -86.47 -45.11 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.502 ' HB2' HG23 ' A' ' 31' ' ' VAL . 19.0 p -58.63 -52.24 66.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.951 0.405 . . . . 0.0 110.563 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.71 19.51 70.61 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.279 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.502 HG23 ' HB2' ' A' ' 29' ' ' SER . 7.8 t -75.73 -26.41 17.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.681 0.753 . . . . 0.0 109.097 175.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.459 ' HG ' HG13 ' A' ' 89' ' ' VAL . 5.1 mp -93.99 152.31 18.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.376 -177.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.8 p -84.76 172.97 11.05 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.478 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.78 77.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.847 0.356 . . . . 0.0 110.836 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -60.61 -53.12 61.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.132 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.504 ' HB3' HG13 ' A' ' 77' ' ' VAL . 51.7 mt-30 -60.47 -38.92 85.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.817 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 78.3 mmm -64.9 -39.46 93.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.616 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.611 ' O ' ' HG2' ' A' ' 42' ' ' MET . 69.1 m-20 -64.4 -43.61 93.89 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.076 -0.249 . . . . 0.0 110.737 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -45.37 81.23 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.363 0.414 . . . . 0.0 110.762 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.514 ' O ' ' HB3' ' A' ' 43' ' ' MET . 90.4 mtp -70.08 -35.64 74.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.821 0.343 . . . . 0.0 111.174 178.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.85 -49.77 74.94 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.04 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.611 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 9.2 ptm -69.83 -20.82 63.42 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.222 -0.191 . . . . 0.0 111.121 178.314 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.514 ' HB3' ' O ' ' A' ' 40' ' ' MET . 54.0 ttp -59.26 -56.53 20.92 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 109.948 173.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.01 -39.64 90.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.567 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.576 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 6.5 t70 -59.16 -47.98 83.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.853 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.3 m -61.25 -41.32 96.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.833 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.502 ' HA ' ' HE1' ' A' ' 66' ' ' MET . 40.4 t -62.12 -36.3 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.277 0.56 . . . . 0.0 110.339 177.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.429 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 39.7 t-20 -66.02 -47.38 74.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.578 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 54.6 m -67.76 -25.94 65.87 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.559 ' O ' ' HG2' ' A' ' 54' ' ' MET . 64.4 mt-30 -81.99 -15.95 51.98 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.2 177.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.497 ' HA ' ' HG2' ' A' ' 54' ' ' MET . 34.2 mtp -74.35 -21.26 59.77 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 168.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -83.16 -27.85 29.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.476 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HE3' ' HB3' ' A' ' 53' ' ' LYS . 25.4 mmmt -67.48 -31.41 71.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.649 173.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.855 ' HB2' ' HB3' ' A' ' 58' ' ' PRO . 22.3 ptp -101.98 -165.73 1.22 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.629 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.404 ' O ' ' HD3' ' A' ' 58' ' ' PRO . . . -151.81 -147.58 4.61 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.368 -178.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -69.84 -14.15 35.44 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.372 2.715 . . . . 0.0 112.439 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -144.67 72.99 15.4 Favored Pre-proline 0 C--N 1.316 -0.873 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.83 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.855 ' HB3' ' HB2' ' A' ' 54' ' ' MET . 57.2 Cg_endo -71.4 159.03 52.76 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.82 2.347 . . . . 0.0 113.389 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.603 ' HG2' ' HG2' ' A' ' 62' ' ' ARG . 36.4 Cg_endo -66.84 129.43 20.87 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.925 2.417 . . . . 0.0 111.261 174.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -61.99 -20.02 63.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.843 -176.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.447 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 48.7 m80 -62.11 -33.63 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.277 178.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.603 ' HG2' ' HG2' ' A' ' 59' ' ' PRO . 30.1 mmt180 -62.06 -42.57 99.33 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 10' ' ' THR . 93.9 mt -62.64 -48.91 77.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.035 -177.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 61' ' ' HIS . 4.0 ptm180 -64.34 -40.77 96.54 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.699 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.499 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -72.98 -44.71 60.74 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -177.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.502 ' HE1' ' HA ' ' A' ' 47' ' ' VAL . 79.0 mtp -71.71 -20.97 61.84 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.77 -176.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -55.59 -53.88 50.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.161 173.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.6 m -72.73 -34.04 66.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.624 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -59.31 -47.77 84.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.704 -178.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.1 ttt -61.53 -42.95 99.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.759 0.314 . . . . 0.0 110.866 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.49 86.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.202 -178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.563 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -63.49 -37.28 86.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.524 ' O ' HG23 ' A' ' 77' ' ' VAL . 47.7 mt-10 -65.22 -37.05 86.06 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.79 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.25 -45.1 86.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.002 0.43 . . . . 0.0 110.553 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.59 97.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.507 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.479 ' OE1' ' HA ' ' B' ' 65' ' ' ALA . 10.7 pt-20 -62.29 -35.88 80.38 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 73' ' ' GLU . 49.7 t -66.4 -45.86 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.91 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.82 -41.54 92.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.695 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.18 -30.91 70.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.755 -179.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.0 m -82.43 71.46 9.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.562 0.696 . . . . 0.0 110.404 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.4 ' HB3' ' NE2' ' A' ' 36' ' ' GLN . 73.9 p -154.56 167.95 12.91 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.974 178.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.89 134.81 62.65 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.649 1.566 . . . . 0.0 110.109 172.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.69 -13.06 34.48 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.43 2.086 . . . . 0.0 112.31 -171.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -88.81 -23.2 22.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.775 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 t -104.6 -10.63 17.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.22 0.534 . . . . 0.0 109.793 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -45.58 -53.79 8.58 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.474 176.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.1 m -59.14 -36.19 74.82 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.326 -177.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.75 62.08 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.942 0.401 . . . . 0.0 110.681 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.459 HG13 ' HG ' ' A' ' 32' ' ' LEU . 63.7 t -62.09 -43.34 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.092 178.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.74 -49.04 77.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.256 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -59.56 -40.59 87.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.07 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.2 m -67.16 -48.91 66.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -178.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.498 ' HA ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -63.79 -48.51 86.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.621 178.222 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.31 -43.35 75.6 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.503 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.474 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -69.39 -46.89 65.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.632 0.253 . . . . 0.0 111.02 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.1 m -70.02 -18.13 63.29 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -175.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 113' ' ' THR . 3.8 mp -63.35 -50.58 69.41 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.324 0.583 . . . . 0.0 109.728 172.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.562 ' HG3' HG21 ' A' ' 108' ' ' VAL . 68.9 ttt180 -59.99 -43.29 95.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.445 178.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 43.6 mt-10 -63.66 -50.26 69.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.983 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 71.6 m -55.18 -45.68 75.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.792 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.54 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 13.3 mmt -59.41 -43.13 93.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.066 0.46 . . . . 0.0 111.012 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.5 ttm -69.12 -25.99 64.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.198 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -88.96 -24.05 22.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.774 0.321 . . . . 0.0 111.089 178.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.88 -56.84 3.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.458 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 80.5 p -107.71 -29.68 8.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.037 0.446 . . . . 0.0 111.0 -176.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.77 -13.11 32.38 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.4 m -127.58 147.37 50.34 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.562 HG21 ' HG3' ' A' ' 98' ' ' ARG . 3.4 p -96.78 117.16 40.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.264 0.554 . . . . 0.0 111.343 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -77.99 113.41 15.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.343 172.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -81.66 -21.54 38.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.917 -175.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.78 -51.44 68.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.89 0.376 . . . . 0.0 110.63 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.58 -51.75 57.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.342 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.687 ' HA ' HD23 ' A' ' 97' ' ' LEU . 20.1 m -51.44 -47.09 63.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.976 178.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.545 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 65.2 t30 -69.73 -40.99 75.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.548 0.213 . . . . 0.0 110.721 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -56.87 -43.46 81.23 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.97 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.539 HG21 HD21 ' A' ' 97' ' ' LEU . 93.9 t -62.45 -36.86 76.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.83 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 23.4 mmt -67.39 -36.48 81.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.035 0.445 . . . . 0.0 109.909 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 114' ' ' ASN . 79.6 mt-30 -66.89 -49.84 64.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.829 176.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.3 mt -56.68 -50.09 73.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.859 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.8 p -65.17 -32.61 59.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.603 -173.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -73.49 -39.67 64.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.198 0.523 . . . . 0.0 110.182 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 35.2 ttp -70.35 -36.98 74.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.472 -177.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 80.0 mt -74.03 0.48 13.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.204 0.526 . . . . 0.0 111.339 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--N 1.32 -0.679 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.915 174.332 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.608 ' HB ' HG21 ' B' ' 105' ' ' THR . 3.5 pt . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' TRP . . . . . 0.422 ' CZ3' ' HB3' ' B' ' 66' ' ' MET . 91.0 m95 -79.23 29.35 0.22 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.137 0.494 . . . . 0.0 111.581 -177.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.1 m -88.91 -18.99 26.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.449 173.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.579 ' HB3' ' HB3' ' B' ' 14' ' ' ALA . 21.9 t-20 -131.44 125.33 20.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.745 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -69.01 -44.8 2.34 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.498 2.132 . . . . 0.0 112.798 -176.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -66.95 -41.31 87.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.96 0.409 . . . . 0.0 110.5 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' B' ' 11' ' ' ASN . . . -63.08 -43.62 98.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.782 178.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ALA . . . . . 0.488 ' HA ' HD12 ' B' ' 8' ' ' ILE . . . -65.98 -38.93 89.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.356 177.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 47.3 ttm -61.77 -25.31 67.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.88 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.3 m -66.22 -35.47 80.51 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.783 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.2 OUTLIER -64.73 -43.33 93.72 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 175.135 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.2 -43.82 98.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.698 177.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -64.79 -50.48 66.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.964 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -62.38 -30.23 71.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.587 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.667 HD11 HD12 ' B' ' 97' ' ' LEU . 13.8 tp -63.63 -49.06 74.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.629 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.542 HG22 ' HB3' ' B' ' 40' ' ' MET . 59.6 t -63.46 -41.3 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.348 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 54.3 mt-30 -59.23 -48.09 82.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.723 177.104 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 49.3 t -61.8 -34.53 76.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.886 0.374 . . . . 0.0 110.745 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.94 79.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.109 0.481 . . . . 0.0 110.955 177.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 30.4 t -72.23 -32.29 66.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.188 0.518 . . . . 0.0 110.353 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' B' ' 24' ' ' GLN . 58.8 mtp85 -71.6 -32.44 68.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.107 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.402 ' HB2' HG23 ' B' ' 31' ' ' VAL . 15.3 p -80.07 -49.79 11.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.469 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.87 26.8 52.56 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.694 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' B' ' 29' ' ' SER . 20.2 t -84.37 -27.64 7.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.319 0.581 . . . . 0.0 110.59 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.428 ' N ' HD12 ' B' ' 32' ' ' LEU . 5.5 mp -92.19 155.17 18.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.371 -171.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 56.7 p -84.14 171.73 12.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.645 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.32 88.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.502 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.81 -40.21 91.84 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.064 0.459 . . . . 0.0 109.914 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.431 ' HB3' HG13 ' B' ' 77' ' ' VAL . 52.0 mt-30 -71.47 -42.06 68.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.674 178.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 85.7 mmm -64.98 -43.54 92.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.322 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.438 ' O ' ' HG2' ' B' ' 42' ' ' MET . 27.6 m-20 -62.17 -42.06 98.91 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.211 176.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.433 ' HB3' HG22 ' B' ' 77' ' ' VAL . 3.8 t70 -59.52 -45.24 92.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.134 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.566 ' O ' ' HB3' ' B' ' 43' ' ' MET . 90.9 mtp -68.8 -36.48 78.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.122 177.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.3 -51.14 60.6 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.626 177.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.501 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 4.8 ptm -74.13 -15.29 61.04 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.03 178.337 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' MET . . . . . 0.566 ' HB3' ' O ' ' B' ' 40' ' ' MET . 49.5 ttp -60.43 -51.38 69.73 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 171.364 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.65 -33.89 76.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.204 176.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.501 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 22.3 t70 -66.11 -36.44 83.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.909 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 38.7 m -67.95 -38.28 82.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 0.0 110.205 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 43' ' ' MET . 52.7 t -62.7 -41.54 92.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 121.413 0.625 . . . . 0.0 109.42 173.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.86 -42.84 94.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.35 175.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 50.6 m -63.83 -30.62 71.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.288 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.627 ' O ' ' HG2' ' B' ' 54' ' ' MET . 66.5 mt-30 -81.83 -19.24 41.51 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.071 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' MET . . . . . 0.567 ' HA ' ' HG2' ' B' ' 54' ' ' MET . 22.5 mtp -76.87 -27.68 55.14 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.978 175.271 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -85.11 -17.63 36.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.064 0.459 . . . . 0.0 110.272 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -73.06 -33.09 65.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.808 170.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' MET . . . . . 0.627 ' HG2' ' O ' ' B' ' 50' ' ' GLN . 23.1 ptp -97.33 -159.95 0.77 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.39 174.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' GLY . . . . . 0.428 ' HA3' ' HD2' ' B' ' 56' ' ' PRO . . . -176.85 -138.46 2.94 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.518 178.345 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' PRO . . . . . 0.428 ' HD2' ' HA3' ' B' ' 55' ' ' GLY . 38.7 Cg_endo -65.49 112.34 2.11 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.559 2.172 . . . . 0.0 111.415 176.528 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 64.77 86.51 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.255 -175.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.498 ' HB3' ' HB2' ' B' ' 54' ' ' MET . 97.0 Cg_endo -85.34 161.77 11.23 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.708 2.272 . . . . 0.0 113.333 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.614 ' HG2' ' HG2' ' B' ' 62' ' ' ARG . 55.3 Cg_endo -72.93 137.73 27.28 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.852 2.368 . . . . 0.0 112.06 177.543 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -57.22 -32.98 67.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.788 -177.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' HIS . . . . . 0.408 ' CE1' ' HB2' ' A' ' 38' ' ' ASP . 95.1 m-70 -56.74 -40.07 75.1 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.831 0.348 . . . . 0.0 111.236 -178.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.614 ' HG2' ' HG2' ' B' ' 59' ' ' PRO . 36.8 mmt180 -60.85 -40.58 93.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.849 -177.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.02 -40.56 78.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.59 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.453 ' HG2' ' OE2' ' A' ' 76' ' ' GLU . 14.4 ttp-105 -59.76 -46.77 88.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.115 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.479 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -68.91 -37.45 78.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.178 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.422 ' HB3' ' CZ3' ' B' ' 9' ' ' TRP . 0.0 OUTLIER -59.84 -38.32 81.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.251 179.35 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -55.98 -50.74 69.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.119 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.563 HG22 ' HB1' ' A' ' 72' ' ' ALA . 1.9 m -74.12 -42.6 59.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.087 -177.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -60.12 -53.34 58.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.622 -177.066 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.3 ttt -59.5 -43.33 93.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.826 0.346 . . . . 0.0 110.992 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' ALA . . . . . 0.408 ' HB2' ' CE1' ' B' ' 112' ' ' PHE . . . -65.3 -43.38 91.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.5 -35.45 79.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.972 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.576 ' O ' HG23 ' B' ' 77' ' ' VAL . 47.6 mt-10 -62.74 -43.41 98.87 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 110.316 177.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.84 -45.4 98.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.063 0.458 . . . . 0.0 110.712 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.27 -43.25 99.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.552 -178.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.499 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 6.4 pt-20 -67.91 -34.67 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.428 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 73' ' ' GLU . 55.6 t -61.33 -41.11 88.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.906 0.384 . . . . 0.0 110.261 176.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.7 t -73.71 -49.96 32.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.788 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.58 91.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.838 -177.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 8.3 m -84.55 74.5 10.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.542 0.687 . . . . 0.0 110.338 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.3 p -153.54 169.26 10.12 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 114.883 -1.053 . . . . 0.0 108.518 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.98 137.45 72.19 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.768 1.646 . . . . 0.0 110.678 172.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.56 -17.54 58.86 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.429 2.086 . . . . 0.0 111.94 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -74.02 -22.91 59.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.131 178.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 5.9 p -117.37 -7.43 11.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.518 -176.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -51.96 -51.04 59.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.759 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 12.5 p -63.26 -39.55 94.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.179 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.09 77.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.768 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.16 -42.26 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.359 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 tt -58.55 -54.1 50.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.748 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -61.25 -36.61 80.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.825 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.8 m -64.8 -53.33 48.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.66 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.7 OUTLIER -58.25 -44.19 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.025 179.036 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.99 -39.01 91.28 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.728 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.11 -43.74 56.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.759 0.314 . . . . 0.0 110.496 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 90.2 m -58.91 -38.19 78.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.316 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.783 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 1.9 mp -54.6 -49.47 70.37 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.648 0.261 . . . . 0.0 111.43 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -59.94 -45.83 91.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.564 -176.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.25 -44.68 68.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.083 -177.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 69.2 m -52.81 -38.98 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 12.4 mmt -62.15 -49.08 77.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.888 0.375 . . . . 0.0 110.902 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 29.6 ttm -67.42 -28.61 68.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -87.1 -0.95 57.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.304 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -112.0 -54.16 2.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.332 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.608 HG21 ' HB ' ' B' ' 8' ' ' ILE . 81.4 p -109.54 -17.08 13.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.115 0.483 . . . . 0.0 111.281 -176.045 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.25 -3.83 76.63 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.556 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 14.8 m -131.8 156.6 45.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 75.2 t -103.5 114.71 43.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.876 0.37 . . . . 0.0 110.865 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -84.71 130.27 34.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.217 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -92.68 -27.33 17.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.182 -177.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.2 86.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.989 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.439 ' O ' HG23 ' B' ' 116' ' ' VAL . 83.0 t80 -71.5 -51.11 25.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.323 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.633 ' HA ' HD23 ' B' ' 97' ' ' LEU . 18.2 m -56.05 -39.66 72.36 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.374 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -74.04 -39.76 63.3 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.443 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.76 -46.0 88.46 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.478 HG21 HD21 ' B' ' 97' ' ' LEU . 87.7 t -59.02 -40.29 80.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.28 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 27.1 mmt -65.19 -37.75 88.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -71.16 -44.63 65.14 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' B' ' 116' ' ' VAL . 9.7 mt -52.67 -49.29 65.53 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.484 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.4 p -71.65 -40.64 70.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.686 -173.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -67.61 -33.25 74.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.773 0.32 . . . . 0.0 110.74 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 42.7 ttp -62.2 -46.47 88.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.688 178.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 98.5 mt -68.69 -26.17 65.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.732 -179.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 40.9 t -71.65 -22.39 61.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.166 0.507 . . . . 0.0 110.74 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.002 -176.389 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.511 HG21 HG21 ' A' ' 105' ' ' THR . 5.6 pt . . . . . 0 C--O 1.234 0.277 0 CA-C-O 120.731 0.3 . . . . 0.0 111.407 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -77.18 41.85 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.353 0.597 . . . . 0.0 111.655 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.4 p -105.83 -11.25 16.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.954 170.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.48 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 34.3 m-80 -127.1 124.0 23.68 Favored Pre-proline 0 N--CA 1.455 -0.214 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.461 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 11' ' ' ASN . 16.1 Cg_exo -65.04 -47.51 4.66 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.948 2.432 . . . . 0.0 113.175 -175.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -78.59 -33.62 47.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.958 -176.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.57 92.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.117 0.484 . . . . 0.0 110.545 177.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -38.43 80.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.548 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 42.0 ttm -61.17 -32.09 71.83 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.55 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.0 m -61.57 -37.05 82.42 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.987 177.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.974 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -69.3 -43.37 73.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.535 178.5 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -59.34 -44.7 92.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.356 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -60.89 -46.8 89.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.011 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.58 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 95.6 m-20 -63.84 -31.92 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.346 -178.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.5 HD21 HD12 ' A' ' 97' ' ' LEU . 21.4 mt -65.41 -41.52 93.52 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.482 176.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.73 -52.09 63.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.475 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.58 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 12.1 pt20 -60.36 -39.01 85.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.222 0.534 . . . . 0.0 110.346 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.8 t -65.29 -41.39 94.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.629 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.522 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -66.71 -40.53 88.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.745 177.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.2 t -64.89 -36.79 85.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.546 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -66.87 -49.53 65.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.121 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 p -63.39 -49.18 74.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -177.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.79 22.0 78.67 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.165 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.425 ' CG1' HD12 ' A' ' 32' ' ' LEU . 14.6 p -84.3 -15.86 10.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.438 0.637 . . . . 0.0 109.513 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.522 HD13 ' HB1' ' A' ' 26' ' ' ALA . 5.0 mp -99.06 156.32 16.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.079 178.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.9 p -93.12 174.73 7.08 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.611 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.33 -36.23 81.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.828 0.347 . . . . 0.0 110.638 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -53.55 -54.94 30.2 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.794 174.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.656 ' HB3' HG13 ' A' ' 77' ' ' VAL . 46.2 mt-30 -67.81 -37.68 82.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.443 -178.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 85.0 mmm -66.15 -37.51 85.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.488 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.433 ' HB3' ' HE1' ' B' ' 61' ' ' HIS . 27.7 t70 -76.27 -30.53 57.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.178 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.421 ' OD2' ' HB2' ' B' ' 65' ' ' ALA . 1.5 m-20 -58.78 -50.59 73.37 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.982 172.296 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.486 ' O ' ' HB3' ' A' ' 43' ' ' MET . 91.2 mtp -67.27 -31.38 71.68 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.614 177.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.17 -45.52 95.86 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.743 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 49.3 ttp -66.67 -30.62 70.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 110.528 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.486 ' HB3' ' O ' ' A' ' 40' ' ' MET . 46.9 ttp -56.04 -53.7 53.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.989 0.424 . . . . 0.0 110.484 176.18 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.86 97.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.528 178.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -60.96 -39.73 90.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.169 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.6 t -62.25 -48.94 77.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.922 0.392 . . . . 0.0 110.637 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 43' ' ' MET . 24.0 t -59.87 -35.55 61.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.133 178.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -72.16 -49.96 31.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.205 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.627 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 39.0 m -63.22 -32.05 73.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.708 -174.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.491 ' HG3' ' HE2' ' A' ' 54' ' ' MET . 5.1 tp-100 -66.33 -36.16 82.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.114 0.483 . . . . 0.0 109.819 177.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.0 mtp -75.29 -36.36 61.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.603 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.627 ' HG2' ' HA ' ' A' ' 49' ' ' SER . 9.9 pt20 -74.39 -18.27 60.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.041 0.448 . . . . 0.0 110.938 178.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -76.0 -46.84 27.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.795 174.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.822 ' HE1' ' HD3' ' A' ' 62' ' ' ARG . 62.4 mtm -85.03 -177.22 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.191 -174.449 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -105.45 -154.2 21.74 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.253 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.97 137.23 37.24 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.512 2.141 . . . . 0.0 112.359 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 60.66 81.83 0.23 Allowed Pre-proline 0 N--CA 1.463 0.215 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.429 -178.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.82 158.3 51.7 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.498 2.132 . . . . 0.0 111.929 175.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.515 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 24.3 Cg_endo -61.65 139.09 79.18 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.927 2.418 . . . . 0.0 112.029 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -60.87 -32.52 71.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.323 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -68.1 -21.92 64.93 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.84 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.822 ' HD3' ' HE1' ' A' ' 54' ' ' MET . 0.5 OUTLIER -64.91 -37.64 88.32 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 176.017 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.436 HD23 HH21 ' A' ' 62' ' ' ARG . 47.4 mt -70.12 -34.78 73.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.427 177.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.448 HH22 ' HA ' ' B' ' 36' ' ' GLN . 2.9 tmm_? -61.59 -38.28 87.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.654 174.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.467 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -76.75 -51.09 12.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.522 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 89.5 mmm -67.96 -23.45 65.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.02 -173.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -56.3 -57.29 12.87 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.538 HG22 ' HB1' ' B' ' 72' ' ' ALA . 6.8 m -68.32 -35.22 77.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.793 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.9 -59.03 6.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.852 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.41 ' HG3' ' SD ' ' A' ' 43' ' ' MET . 21.1 ttt -57.59 -45.52 85.18 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.043 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.37 88.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.502 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.59 -38.26 80.5 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.358 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 77' ' ' VAL . 48.8 mt-10 -61.86 -48.32 81.06 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.216 -0.194 . . . . 0.0 110.643 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 78' ' ' VAL . 47.0 t -57.24 -47.68 83.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.883 0.373 . . . . 0.0 110.571 176.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.19 -42.99 92.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.794 ' OE1' ' HA ' ' B' ' 65' ' ' ALA . 0.6 OUTLIER -62.66 -46.38 88.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.656 177.26 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.656 HG13 ' HB3' ' A' ' 36' ' ' GLN . 56.4 t -54.1 -39.34 41.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.582 178.137 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.468 HG22 HG12 ' A' ' 89' ' ' VAL . 77.1 t -73.14 -47.5 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.197 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.435 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . . . -65.3 -30.12 70.94 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -174.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 m -90.92 19.98 5.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.211 0.529 . . . . 0.0 111.485 -175.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.4 ' OG ' ' HA ' ' A' ' 86' ' ' TYR . 79.7 p -90.03 162.88 34.01 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 176.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.27 145.46 87.13 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.162 1.908 . . . . 0.0 111.282 173.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -64.36 -13.34 37.75 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.405 2.07 . . . . 0.0 112.324 -175.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -81.76 -14.81 55.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.882 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.2 m -132.13 4.91 4.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.848 -174.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' A' ' 79' ' ' ALA . 18.4 t80 -59.21 -51.61 69.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.0 t -71.37 -27.28 63.23 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.38 -51.37 52.81 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.705 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.468 HG12 HG22 ' A' ' 78' ' ' VAL . 62.8 t -64.03 -40.65 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.6 tt -58.29 -54.15 50.27 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.624 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -57.33 -40.82 78.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.034 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.9 m -62.21 -52.92 61.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.453 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.436 ' HA ' HD13 ' A' ' 93' ' ' ILE . 1.3 mm -65.93 -50.01 72.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.85 -33.1 71.85 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.161 -0.543 . . . . 0.0 113.348 -175.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.58 -35.93 26.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.787 0.327 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.9 t -79.27 -20.57 47.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.213 -173.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.974 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 3.5 mp -57.85 -41.91 83.34 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.065 0.459 . . . . 0.0 110.386 175.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.585 ' HG3' HG21 ' A' ' 108' ' ' VAL . 79.3 ttt180 -63.71 -37.72 88.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.285 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -73.15 -50.78 20.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.0 m -55.09 -41.02 71.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.4 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.458 ' SD ' ' HG3' ' A' ' 18' ' ' MET . 9.9 mmt -62.57 -47.77 82.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.934 0.397 . . . . 0.0 111.009 177.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.8 ttm -68.14 -32.98 73.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.239 -176.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -81.99 -12.13 58.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.858 0.361 . . . . 0.0 110.959 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.59 -60.87 1.67 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.813 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.511 HG21 HG21 ' A' ' 8' ' ' ILE . 65.2 p -93.85 -51.32 4.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.509 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 139.11 -25.75 2.76 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -175.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 48.0 m -120.1 -174.82 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.585 HG21 ' HG3' ' A' ' 98' ' ' ARG . 4.8 p -117.51 123.4 71.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.301 178.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -75.13 97.82 3.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.86 173.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -72.56 -28.91 63.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.579 -175.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.88 87.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.451 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 116' ' ' VAL . 76.8 t80 -67.46 -51.7 48.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.103 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.699 ' HA ' HD23 ' A' ' 97' ' ' LEU . 13.1 m -54.37 -44.17 72.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.603 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 51.0 t-20 -67.16 -47.87 69.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.251 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.1 -44.59 83.35 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.438 -176.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.455 HG21 HD21 ' A' ' 97' ' ' LEU . 94.6 t -60.36 -36.22 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.37 . . . . 0.0 111.013 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.441 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 25.2 mmt -73.28 -23.53 60.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.643 -177.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 25.8 mm-40 -87.76 -34.58 18.28 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 18.7 mt -59.15 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.016 176.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.16 -34.67 72.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.189 -177.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 117' ' ' MET . 95.9 mttt -71.42 -37.51 71.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.144 177.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 50.3 ttp -70.21 -37.77 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.012 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 84.3 mt -72.89 0.91 9.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.274 0.559 . . . . 0.0 110.694 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.861 177.035 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.48 ' CG2' HG21 ' B' ' 105' ' ' THR . 12.6 pt . . . . . 0 C--O 1.235 0.329 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -73.17 81.86 1.3 Allowed 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 122.152 0.977 . . . . 0.0 110.715 176.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 85.6 m -152.4 -38.52 0.11 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 113.988 -1.46 . . . . 0.0 107.719 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -99.06 117.75 63.75 Favored Pre-proline 0 N--CA 1.452 -0.335 0 CA-C-N 114.854 -1.067 . . . . 0.0 108.697 170.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -59.96 -51.57 5.57 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.805 2.337 . . . . 0.0 112.46 -172.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -67.11 -36.18 81.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.316 -176.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.76 -33.6 68.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.016 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.81 -34.61 60.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.538 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 43.5 ttm -60.79 -28.18 68.56 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.803 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m -58.77 -40.67 84.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.787 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.437 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 10.3 ttt -64.14 -43.84 93.97 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 178.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -60.96 -44.1 97.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.379 0.609 . . . . 0.0 110.471 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -65.02 -46.05 82.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.366 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -67.86 -29.21 68.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.267 -176.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.681 HD21 HD12 ' B' ' 97' ' ' LEU . 40.9 mt -63.4 -47.02 83.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.814 176.112 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 67.4 t -61.42 -39.91 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.337 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.595 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 24.9 mt-30 -58.01 -48.9 78.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.328 175.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' CYS . . . . . 0.471 ' HA ' ' NE ' ' B' ' 28' ' ' ARG . 6.4 t -59.36 -49.63 77.09 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.543 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.03 -38.15 85.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.429 -177.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 43.5 t -67.05 -20.76 65.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.36 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' B' ' 24' ' ' GLN . 49.4 mtm180 -82.16 -53.55 5.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.282 0.563 . . . . 0.0 109.949 176.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.578 ' HB2' HG23 ' B' ' 31' ' ' VAL . 51.3 p -57.21 -48.12 79.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.121 -171.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.73 20.51 79.79 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.045 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' B' ' 29' ' ' SER . 23.5 t -80.67 -27.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.438 0.637 . . . . 0.0 109.51 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.413 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.6 mp -93.06 152.72 19.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.702 -175.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 40.5 p -83.16 174.37 10.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.65 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.3 94.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.91 0.386 . . . . 0.0 110.485 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -57.17 -44.21 83.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.444 177.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.448 ' HA ' HH22 ' A' ' 64' ' ' ARG . 53.3 mt-30 -70.7 -43.59 68.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.057 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 81.3 mmm -63.33 -46.18 87.84 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.377 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -66.44 -28.78 68.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.104 0.478 . . . . 0.0 110.237 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.402 ' OD1' ' HB2' ' A' ' 65' ' ' ALA . 5.5 t70 -68.79 -44.02 74.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.185 176.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' B' ' 43' ' ' MET . 91.6 mtp -66.45 -38.71 87.96 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.948 177.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.1 -41.98 99.63 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.535 175.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.489 ' SD ' ' HG3' ' A' ' 62' ' ' ARG . 52.5 ttp -63.75 -36.46 83.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.941 0.401 . . . . 0.0 110.227 176.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' MET . . . . . 0.412 ' HB3' ' O ' ' B' ' 40' ' ' MET . 41.1 ttp -58.56 -49.09 78.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.001 176.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.15 93.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.034 0.445 . . . . 0.0 110.642 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.13 -37.89 89.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.444 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -59.23 -46.7 87.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.419 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 39.5 t -62.85 -42.93 98.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.119 0.485 . . . . 0.0 110.094 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -58.92 -43.26 91.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.426 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.487 ' HA ' ' HG2' ' B' ' 52' ' ' GLN . 35.5 m -62.46 -28.72 70.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.443 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -76.12 -23.67 54.9 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.29 -179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 40.2 mtp -82.62 -16.48 48.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.533 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.487 ' HG2' ' HA ' ' B' ' 49' ' ' SER . 11.0 pt20 -93.68 -12.09 30.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.581 . . . . 0.0 109.765 173.13 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 45.8 mmtt -78.9 -51.73 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.805 170.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' MET . . . . . 0.492 ' HB3' ' HB3' ' B' ' 58' ' ' PRO . 43.9 mtm -91.85 110.37 21.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.448 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.12 -95.8 1.16 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.977 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.21 110.38 2.86 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.865 2.377 . . . . 0.0 112.925 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 59.03 88.79 0.12 Allowed Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.739 175.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.492 ' HB3' ' HB3' ' B' ' 54' ' ' MET . 67.2 Cg_endo -76.83 155.37 34.57 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.311 2.008 . . . . 0.0 113.464 -178.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.458 ' HG2' ' HB2' ' B' ' 62' ' ' ARG . 41.2 Cg_endo -69.62 129.86 18.48 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 123.476 2.784 . . . . 0.0 112.103 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.42 -41.51 98.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.639 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' HIS . . . . . 0.557 ' O ' ' HB3' ' B' ' 64' ' ' ARG . 22.3 p80 -63.78 -23.12 67.24 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.963 0.411 . . . . 0.0 110.94 -178.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.458 ' HB2' ' HG2' ' B' ' 59' ' ' PRO . 9.2 ttt180 -74.98 -33.31 61.86 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -177.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.27 -30.8 67.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.625 172.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.557 ' HB3' ' O ' ' B' ' 61' ' ' HIS . 1.5 tmm_? -59.01 -45.67 90.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.423 175.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.794 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -68.28 -34.62 76.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.286 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 96.2 mmm -68.52 -30.16 68.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.755 177.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.484 ' HB3' ' O ' ' B' ' 64' ' ' ARG . 13.6 t-20 -56.63 -54.06 50.47 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.45 174.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.452 HG21 ' HB2' ' A' ' 76' ' ' GLU . 4.6 m -63.83 -37.19 86.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.734 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.68 -54.72 38.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.989 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.8 ttt -57.96 -48.26 80.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.277 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' ALA . . . . . 0.44 ' HB2' ' CE2' ' B' ' 112' ' ' PHE . . . -62.23 -42.65 99.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.223 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.538 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -67.37 -40.77 85.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.554 ' O ' HG23 ' B' ' 77' ' ' VAL . 42.0 mt-10 -61.92 -51.16 69.28 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.791 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 38.7 t -54.96 -48.47 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 111.015 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.88 98.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.037 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.467 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -69.91 -30.26 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.181 179.506 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.554 HG23 ' O ' ' B' ' 73' ' ' GLU . 64.5 t -63.77 -43.22 97.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.074 0.464 . . . . 0.0 110.131 173.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.54 -46.88 68.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.922 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.01 81.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.706 -177.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 11.1 m -83.83 77.53 9.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.277 0.56 . . . . 0.0 110.357 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.0 p -157.84 167.88 13.59 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.117 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.94 142.33 92.6 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.0 1.8 . . . . 0.0 110.776 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -62.75 -20.33 70.8 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.401 2.068 . . . . 0.0 111.995 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -80.42 -15.42 56.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.806 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 21.0 m -112.52 -19.4 12.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.682 -177.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -49.04 -51.31 31.88 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.341 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 32.9 t -61.1 -43.26 99.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.734 0.302 . . . . 0.0 111.002 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.65 84.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.057 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.44 -44.59 98.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.051 0.453 . . . . 0.0 110.079 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.34 -50.74 72.55 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.494 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -59.69 -34.69 73.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.146 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 91.7 m -67.09 -51.39 54.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.486 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.482 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.6 mm -66.02 -46.36 88.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.228 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.6 -40.17 92.1 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.647 -178.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' B' ' 99' ' ' GLU . . . -70.62 -48.88 52.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.805 0.336 . . . . 0.0 110.784 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 61.4 m -71.0 -18.49 62.59 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.681 HD12 HD21 ' B' ' 22' ' ' LEU . 1.1 tp -57.2 -51.53 68.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.547 0.689 . . . . 0.0 109.59 172.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.512 ' HG3' HG21 ' B' ' 108' ' ' VAL . 48.2 ttt180 -59.32 -48.68 80.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.535 177.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' B' ' 95' ' ' ALA . 11.5 mm-40 -59.96 -45.93 91.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.204 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 75.0 m -55.63 -43.96 76.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.106 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.586 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 14.7 mmt -63.24 -40.66 98.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.515 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 102' ' ' MET . . . . . 0.46 ' O ' ' HA2' ' B' ' 106' ' ' GLY . 8.9 ttm -70.75 -22.79 62.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.892 0.377 . . . . 0.0 111.273 -177.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -90.11 -34.58 15.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.81 0.338 . . . . 0.0 110.84 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.75 -59.67 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.384 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.48 HG21 ' CG2' ' B' ' 8' ' ' ILE . 74.1 p -103.86 -31.1 9.95 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.039 -177.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 106' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' B' ' 102' ' ' MET . . . 103.45 -2.04 46.35 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -175.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 6.3 m -136.24 132.22 35.54 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -178.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.586 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 3.1 p -86.8 110.37 20.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.36 0.6 . . . . 0.0 111.218 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -77.14 125.05 28.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.877 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -89.2 -16.75 30.58 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.306 -177.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.2 -55.09 15.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.653 -0.248 . . . . 0.0 110.649 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.44 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 59.4 t80 -63.47 -46.18 87.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.917 0.389 . . . . 0.0 110.202 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.573 ' HA ' HD23 ' B' ' 97' ' ' LEU . 90.1 m -58.07 -44.08 87.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.089 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 114' ' ' ASN . . . . . 0.415 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 11.0 t30 -69.59 -37.97 77.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.94 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -60.02 -42.82 95.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.345 -178.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.489 ' HA ' HD12 ' B' ' 119' ' ' LEU . 77.6 t -60.29 -38.55 77.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.639 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 31.3 mmt -66.41 -38.4 87.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.445 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 45.0 mt-30 -65.66 -45.31 83.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.048 0.451 . . . . 0.0 110.241 177.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' B' ' 116' ' ' VAL . 18.5 mt -58.25 -48.9 78.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.36 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 11.9 p -70.63 -29.62 38.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.621 -174.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -76.74 -39.76 50.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.716 0.293 . . . . 0.0 110.694 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -63.91 -43.46 95.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 80.7 mt -69.45 -10.65 58.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.457 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 26.6 t -107.47 6.25 27.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.078 0.466 . . . . 0.0 110.324 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.437 0 CA-C-O 121.169 0.509 . . . . 0.0 111.417 -176.51 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.49 HG21 HG21 ' A' ' 105' ' ' THR . 14.6 pt . . . . . 0 C--O 1.235 0.315 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -79.59 67.55 5.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.403 0.62 . . . . 0.0 112.21 -173.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.9 t -126.6 -13.83 5.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.377 170.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -126.21 125.04 24.63 Favored Pre-proline 0 CA--C 1.518 -0.251 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.833 177.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -67.74 -38.94 12.6 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.896 2.398 . . . . 0.0 113.045 -173.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -76.78 -35.34 57.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.788 0.327 . . . . 0.0 110.784 -177.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.05 94.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.05 0.452 . . . . 0.0 110.482 177.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.05 -38.71 75.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.923 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.405 ' HE3' ' HB2' ' A' ' 16' ' ' MET . 52.0 ttm -60.98 -29.17 69.51 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.796 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.9 m -66.99 -35.69 80.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.962 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -65.09 -40.89 95.24 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 176.858 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.45 -41.33 96.61 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.65 177.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -62.55 -48.32 80.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -62.65 -32.0 72.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.558 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 18' ' ' MET . 49.4 mt -60.81 -47.13 87.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 111.256 177.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.5 -34.03 67.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.153 0.502 . . . . 0.0 110.31 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -70.31 -41.3 73.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.299 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.605 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 13.8 p -72.66 -34.84 67.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.958 0.409 . . . . 0.0 110.081 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.58 -37.25 86.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.079 0.466 . . . . 0.0 110.659 174.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.7 t -74.74 -23.14 58.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.328 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' A' ' 25' ' ' CYS . 9.8 ptt180 -87.22 -22.95 24.93 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.495 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.8 p -85.56 -59.3 2.35 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.902 0.382 . . . . 0.0 110.456 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.38 17.18 69.5 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.074 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.403 HG11 ' OG1' ' A' ' 92' ' ' THR . 12.4 p -79.59 -22.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.284 0.564 . . . . 0.0 110.138 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.494 ' HG ' HG13 ' A' ' 89' ' ' VAL . 5.1 mp -89.57 156.89 18.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.033 178.335 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.7 p -80.27 167.14 20.65 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.78 -31.67 72.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.975 0.417 . . . . 0.0 110.004 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.89 -43.51 86.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.713 175.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -74.69 -34.38 62.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.037 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 86.2 mmm -64.77 -42.68 94.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.063 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.4 -31.49 68.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.985 0.422 . . . . 0.0 109.942 177.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.493 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -58.16 -50.81 72.21 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.019 175.031 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.596 ' HG3' HG11 ' A' ' 77' ' ' VAL . 90.5 mtp -68.65 -35.09 76.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.126 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.21 -43.31 99.55 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.713 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.0 tmm? -65.95 -33.32 75.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.668 0.27 . . . . 0.0 110.749 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.449 ' O ' HG23 ' A' ' 47' ' ' VAL . 40.6 ttp -57.47 -49.32 76.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.918 0.389 . . . . 0.0 110.572 176.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.4 -36.52 84.2 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.266 0.555 . . . . 0.0 110.427 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.92 -40.65 98.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.683 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -60.97 -47.35 86.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.374 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 43' ' ' MET . 21.6 t -55.42 -42.77 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-O 120.88 0.372 . . . . 0.0 110.43 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -67.94 -48.13 66.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.289 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.573 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 36.0 p -69.82 -23.71 63.35 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -175.232 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -76.62 -39.48 52.33 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 174.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.6 mmm -61.53 -43.44 98.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.126 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.573 ' HG2' ' HA ' ' A' ' 49' ' ' SER . 20.5 pt20 -71.84 -15.47 62.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.852 0.358 . . . . 0.0 111.379 -178.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -89.11 -8.92 52.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.882 0.372 . . . . 0.0 110.74 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.856 ' SD ' ' HD2' ' A' ' 62' ' ' ARG . 78.1 mtm -106.97 -48.76 3.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.893 0.378 . . . . 0.0 110.918 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.98 -165.61 20.95 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.661 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -67.07 139.14 49.88 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.405 2.07 . . . . 0.0 112.028 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 58.15 76.02 0.5 Allowed Pre-proline 0 N--CA 1.466 0.341 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.96 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -81.99 167.66 16.03 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.517 2.144 . . . . 0.0 112.641 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.5 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 23.8 Cg_exo -61.46 122.53 11.22 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 123.11 2.54 . . . . 0.0 111.791 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -62.53 -33.78 75.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.088 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -34.21 73.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.304 0.573 . . . . 0.0 110.376 178.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.856 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 41.7 ttm-85 -73.85 -32.55 63.71 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.621 -178.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.69 -32.14 72.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.929 176.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.1 mtm105 -58.14 -48.57 79.83 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 173.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.538 ' HA ' ' HG3' ' B' ' 76' ' ' GLU . . . -62.4 -37.05 84.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.217 178.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 96.1 mmm -59.24 -33.94 71.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -53.52 -55.57 24.34 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 173.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.527 HG22 ' HB1' ' B' ' 72' ' ' ALA . 19.7 m -65.83 -42.08 90.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.121 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -58.02 -56.39 22.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.482 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.4 ttt -60.03 -45.14 93.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.289 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.19 99.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.546 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -63.76 -41.4 97.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.955 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.577 ' O ' HG23 ' A' ' 77' ' ' VAL . 12.3 mm-40 -58.22 -52.15 66.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.027 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 78' ' ' VAL . 53.9 t -55.94 -47.32 80.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.64 96.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -61.63 -42.99 99.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.045 178.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.596 HG11 ' HG3' ' A' ' 40' ' ' MET . 91.9 t -61.44 -44.24 98.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.12 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 74' ' ' VAL . 78.2 t -68.68 -40.37 81.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.146 -178.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.89 -21.42 66.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.745 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.3 m -89.94 77.33 6.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.352 0.596 . . . . 0.0 110.434 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 p -158.57 161.45 28.42 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.593 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.54 ' HD2' ' HB3' ' A' ' 85' ' ' SER . 26.1 Cg_exo -63.91 155.84 61.74 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.201 1.934 . . . . 0.0 110.904 175.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -57.67 -36.1 98.6 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.352 2.035 . . . . 0.0 112.122 -174.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -76.6 -21.24 55.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.684 -178.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.54 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 18.0 t -101.63 -21.62 14.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.826 0.346 . . . . 0.0 110.76 -175.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -51.43 -52.14 48.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.05 -177.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.0 t -71.52 -24.89 62.04 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.087 -177.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.2 -47.01 53.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.116 0.484 . . . . 0.0 110.068 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.494 HG13 ' HG ' ' A' ' 32' ' ' LEU . 73.0 t -62.73 -44.92 99.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.097 175.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.4 -50.15 75.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.84 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -57.49 -34.7 69.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.945 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.403 ' OG1' HG11 ' A' ' 31' ' ' VAL . 39.9 m -71.06 -53.42 14.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.435 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.5 ' HA ' HD13 ' A' ' 93' ' ' ILE . 1.6 mm -59.83 -43.5 92.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.063 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.12 -35.02 63.21 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.57 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.21 -36.24 47.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.923 0.392 . . . . 0.0 110.643 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.544 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 86.3 m -63.1 -40.32 97.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.293 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.962 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 9.5 mp -59.71 -33.4 71.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.13 0.49 . . . . 0.0 110.798 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.486 ' HG3' HG21 ' A' ' 108' ' ' VAL . 64.0 ttt180 -66.92 -49.53 65.24 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.687 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.544 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 11.0 pt-20 -74.52 -37.21 63.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.838 -175.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 66.4 m -59.83 -41.21 90.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.71 0.29 . . . . 0.0 110.767 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 14.8 mmt -66.4 -41.53 89.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.728 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.7 ttm -68.05 -28.79 67.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.245 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -83.0 -34.97 26.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.941 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.27 -50.4 16.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.658 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.49 HG21 HG21 ' A' ' 8' ' ' ILE . 75.2 p -108.78 -47.12 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.21 0.529 . . . . 0.0 111.079 -177.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 130.68 -8.97 5.82 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.569 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.1 m -138.25 148.14 44.42 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.486 HG21 ' HG3' ' A' ' 98' ' ' ARG . 2.4 p -88.68 111.16 22.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.345 0.593 . . . . 0.0 111.158 179.132 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -74.51 125.98 29.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.114 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -86.22 -20.41 28.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.421 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.01 -53.32 55.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.653 0.263 . . . . 0.0 110.852 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -68.42 -45.54 72.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.042 0.449 . . . . 0.0 110.329 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.709 ' HA ' HD23 ' A' ' 97' ' ' LEU . 19.5 m -58.92 -41.65 87.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.707 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 10.2 t30 -71.94 -39.57 69.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.662 0.267 . . . . 0.0 110.499 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -55.54 -44.86 77.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.749 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.551 HG21 HD21 ' A' ' 97' ' ' LEU . 66.1 t -65.63 -35.61 75.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.958 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 30.5 mmt -65.85 -36.86 84.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.908 0.385 . . . . 0.0 110.247 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 114' ' ' ASN . 43.7 mt-30 -69.5 -46.78 65.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.968 176.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 116' ' ' VAL . 13.7 mt -54.81 -51.36 66.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.882 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.3 p -68.29 -31.08 50.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.608 -173.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -76.67 -37.59 55.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.001 0.429 . . . . 0.0 110.349 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 41.9 ttp -63.91 -45.36 89.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.688 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.39 -18.29 61.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.25 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 121.06 0.457 . . . . 0.0 110.406 179.345 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.473 HG21 HG21 ' B' ' 105' ' ' THR . 19.4 pt . . . . . 0 CA--C 1.532 0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 111.801 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -77.59 7.64 5.34 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -173.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.7 t -81.49 -12.72 58.76 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 171.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -121.94 104.94 38.16 Favored Pre-proline 0 C--O 1.234 0.272 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.717 173.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -62.31 -35.43 73.48 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.831 2.354 . . . . 0.0 112.257 -175.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -69.81 -41.51 74.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.496 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.3 -44.79 82.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.503 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.16 99.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.127 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -62.67 -30.99 71.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.786 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.6 m -67.48 -34.57 77.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.112 0.482 . . . . 0.0 109.877 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' MET . . . . . 1.011 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.61 -44.4 94.06 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.182 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -59.56 -44.26 93.32 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.187 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -63.69 -47.74 79.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.267 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -65.74 -27.79 68.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.645 -176.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.431 HD12 ' HE3' ' B' ' 70' ' ' MET . 19.4 mt -61.25 -47.18 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.626 175.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.56 -41.32 91.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.4 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.61 -44.34 94.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 177.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' CYS . . . . . 0.514 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 42.7 t -64.42 -36.23 83.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.115 0.483 . . . . 0.0 110.561 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.483 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -71.22 -37.61 72.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.003 0.43 . . . . 0.0 111.062 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 45.1 t -72.03 -31.29 66.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.514 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 26.3 ptt180 -80.73 -19.62 44.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.611 0.243 . . . . 0.0 110.997 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.3 p -89.93 -49.27 6.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.015 0.436 . . . . 0.0 110.414 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.08 24.27 74.11 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.045 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.7 p -90.57 -9.85 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.165 0.507 . . . . 0.0 110.385 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.5 mp -102.13 151.23 22.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.397 178.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 62.1 p -86.31 -179.5 6.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.908 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.14 94.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.766 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -57.98 -49.96 75.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.448 0.642 . . . . 0.0 109.558 178.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.566 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 43.0 mt-30 -67.26 -46.75 72.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.325 -177.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 90.1 mmm -63.57 -45.0 92.45 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 111.55 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -65.84 -35.27 80.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -72.0 -38.77 69.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.998 0.428 . . . . 0.0 110.542 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.523 ' HG3' HG11 ' B' ' 77' ' ' VAL . 85.9 mtp -65.47 -33.04 74.99 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.147 174.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.04 -41.79 96.65 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.553 172.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.579 ' SD ' ' HD3' ' A' ' 62' ' ' ARG . 52.7 ttp -65.07 -34.27 78.02 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 120.595 0.236 . . . . 0.0 110.735 176.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' MET . . . . . 0.523 ' SD ' ' HG3' ' B' ' 70' ' ' MET . 47.6 ttp -54.47 -51.04 66.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.975 0.417 . . . . 0.0 110.338 176.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.51 99.48 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.96 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.75 -41.65 97.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.183 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 30.0 t -56.77 -51.53 68.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.622 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 43' ' ' MET . 10.6 t -60.3 -41.56 87.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.618 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -67.85 -50.73 54.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.694 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.496 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 63.4 p -68.93 -24.99 64.35 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -171.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -86.75 -32.62 20.31 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.549 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 58.7 mmm -69.05 -39.16 79.32 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.152 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -66.54 -26.25 67.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.093 0.473 . . . . 0.0 110.542 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' B' ' 49' ' ' SER . 32.9 mtmm -85.24 -12.99 51.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.587 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.6 mtm -105.07 -40.7 5.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.334 . . . . 0.0 111.199 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.85 -157.78 28.84 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.723 176.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.36 141.67 47.52 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.788 2.325 . . . . 0.0 112.475 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 49.93 75.78 0.62 Allowed Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.428 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -83.11 172.34 10.83 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 122.484 2.123 . . . . 0.0 111.879 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.613 ' HG2' ' CZ ' ' B' ' 62' ' ' ARG . 23.1 Cg_exo -63.14 119.1 6.04 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.607 2.205 . . . . 0.0 111.161 175.153 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -57.92 -28.34 64.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.197 -176.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' HIS . . . . . 0.664 ' HA ' ' HG3' ' B' ' 64' ' ' ARG . 11.4 p80 -71.47 -32.23 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.405 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.661 ' O ' ' HG2' ' B' ' 66' ' ' MET . 41.5 mtm-85 -73.81 -21.06 60.27 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.163 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.16 -32.53 63.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.761 171.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.664 ' HG3' ' HA ' ' B' ' 61' ' ' HIS . 29.4 mtm105 -53.17 -53.72 46.48 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.271 0.558 . . . . 0.0 109.577 173.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.93 94.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.725 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.661 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 92.6 mmm -58.38 -32.42 68.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.377 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -54.13 -55.17 30.31 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.143 0.497 . . . . 0.0 110.393 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.546 HG22 ' HB1' ' A' ' 72' ' ' ALA . 26.6 m -74.09 -32.91 63.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.181 -177.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.28 -53.8 54.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.98 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' MET . . . . . 0.523 ' HG3' ' SD ' ' B' ' 43' ' ' MET . 20.2 ttt -60.34 -45.37 93.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.834 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.6 99.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.288 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.527 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -64.75 -38.77 92.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.23 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.47 -39.03 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.407 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.454 ' O ' HG23 ' B' ' 78' ' ' VAL . 71.5 t -66.38 -41.66 89.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.056 0.455 . . . . 0.0 110.516 176.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.31 -38.28 90.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.502 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.538 ' HG3' ' HA ' ' A' ' 65' ' ' ALA . 3.5 tm-20 -55.13 -53.7 52.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.211 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.523 HG11 ' HG3' ' B' ' 40' ' ' MET . 33.7 m -68.75 -34.8 66.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.174 -174.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 74' ' ' VAL . 96.4 t -70.56 -37.79 71.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.987 0.422 . . . . 0.0 110.425 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' B' ' 86' ' ' TYR . . . -72.98 -35.96 67.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.807 -177.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 27.5 m -85.85 78.81 9.44 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.604 0.716 . . . . 0.0 110.244 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 52.1 p -149.76 162.96 26.63 Favored Pre-proline 0 C--N 1.317 -0.847 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.868 176.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -64.23 139.78 67.8 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.731 1.621 . . . . 0.0 110.403 175.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -45.4 -38.09 15.21 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.371 2.714 . . . . 0.0 112.947 -176.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -66.4 -50.1 64.61 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.54 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.411 ' O ' HG23 ' B' ' 89' ' ' VAL . 47.8 m -83.4 -9.86 58.77 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.112 -172.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' TYR . . . . . 0.431 ' OH ' HG22 ' B' ' 120' ' ' VAL . 18.8 t80 -51.7 -53.65 36.91 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 111.261 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -60.07 -40.27 88.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.928 -177.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.4 92.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.78 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 85' ' ' SER . 65.8 t -64.79 -46.46 91.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.493 178.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 tt -58.5 -50.44 73.76 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.686 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -60.55 -38.86 85.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.06 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 93.9 m -64.41 -56.25 15.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.722 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.469 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -59.32 -42.01 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.192 -179.001 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.92 -41.48 76.76 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.999 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.43 65.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.751 0.31 . . . . 0.0 110.64 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 88.6 m -58.68 -34.79 71.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.785 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 1.011 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 7.6 mp -66.11 -43.82 86.12 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.647 0.26 . . . . 0.0 111.11 178.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.513 ' HG3' HG21 ' B' ' 108' ' ' VAL . 20.8 ttt180 -60.6 -40.68 92.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.115 0.483 . . . . 0.0 110.08 176.331 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.96 -55.56 24.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.314 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 42.3 m -56.99 -42.26 79.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.016 -174.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.563 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 15.7 mmt -63.05 -38.03 89.55 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.011 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 3.2 ttm -68.54 -35.1 76.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.944 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -81.75 -35.13 30.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.985 0.421 . . . . 0.0 110.791 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.0 -54.75 8.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.695 -176.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.473 HG21 HG21 ' B' ' 8' ' ' ILE . 81.8 p -107.51 -49.66 3.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.136 0.493 . . . . 0.0 110.682 -177.026 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 131.53 -20.74 4.61 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -175.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m -120.77 139.5 53.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.563 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 2.9 p -90.5 108.06 19.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.399 0.619 . . . . 0.0 111.204 -177.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -71.75 130.31 40.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.38 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -92.19 -17.4 24.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.362 -177.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.72 -53.0 54.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.652 0.263 . . . . 0.0 110.774 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -68.18 -45.94 72.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.427 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.704 ' HA ' HD23 ' B' ' 97' ' ' LEU . 22.8 m -56.73 -41.01 76.74 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.728 178.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 114' ' ' ASN . . . . . 0.416 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 55.7 t30 -71.85 -41.15 68.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 0.0 110.494 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -53.33 -44.98 68.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.141 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.542 HG21 HD21 ' B' ' 97' ' ' LEU . 94.0 t -66.1 -36.74 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 29.0 mmt -65.06 -39.96 94.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.07 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 44.1 mt-30 -68.45 -43.38 77.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.224 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' B' ' 116' ' ' VAL . 17.4 mt -56.62 -51.23 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.616 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 120' ' ' VAL . . . . . 0.431 HG22 ' OH ' ' B' ' 86' ' ' TYR . 11.4 p -67.85 -35.95 74.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.47 -174.101 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -67.44 -40.73 85.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.089 0.471 . . . . 0.0 110.402 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.418 ' HE1' ' CD2' ' A' ' 119' ' ' LEU . 38.7 ttp -65.86 -43.78 87.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.986 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 90.6 mt -74.9 -11.41 60.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 110.83 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 29.6 t -89.9 0.45 57.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.358 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 121.017 0.437 . . . . 0.0 111.404 -179.298 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.525 HG21 HG21 ' A' ' 105' ' ' THR . 5.7 pt . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.036 0.446 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -73.54 85.88 1.57 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.818 0.818 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -164.37 -28.29 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.008 -1.451 . . . . 0.0 107.987 177.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -109.9 112.82 57.8 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.007 171.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -65.03 -40.63 19.64 Favored 'Trans proline' 0 C--N 1.331 -0.349 0 C-N-CA 122.862 2.375 . . . . 0.0 113.001 -170.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -65.66 -34.98 79.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.739 0.304 . . . . 0.0 110.705 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.43 -44.41 75.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.554 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.35 91.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.665 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 43.2 ttm -63.1 -28.76 70.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.9 m -64.01 -37.78 88.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.852 176.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.406 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 0.4 OUTLIER -65.83 -39.49 90.88 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.459 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.46 -41.65 97.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.801 177.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -71.45 -42.01 68.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.162 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -61.49 -33.08 73.18 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.209 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.715 HD21 HD12 ' A' ' 97' ' ' LEU . 46.8 mt -60.81 -40.8 94.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.732 176.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.34 -35.93 72.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.302 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -59.5 -52.0 67.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.467 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.55 -38.89 65.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.059 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.28 -42.28 90.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.425 . . . . 0.0 111.364 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.5 t -68.44 -21.59 64.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.527 -176.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 28' ' ' ARG . 10.2 ptp180 -106.01 -4.79 20.11 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.922 -178.141 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.7 p -85.23 -45.86 11.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.125 0.488 . . . . 0.0 109.78 176.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.4 90.12 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.58 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.5 p -76.24 -19.16 15.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.023 0.439 . . . . 0.0 110.39 -179.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mp -98.16 160.14 14.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.011 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.9 p -92.8 176.78 6.31 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.551 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.19 -40.87 96.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.12 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.478 ' CG ' HH21 ' B' ' 64' ' ' ARG . 11.2 t70 -61.76 -41.78 98.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.209 0.528 . . . . 0.0 110.089 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.613 ' HB3' HG13 ' A' ' 77' ' ' VAL . 54.0 mt-30 -66.62 -48.4 69.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.635 177.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 76.7 mmm -62.35 -42.54 99.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.591 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -66.19 -35.87 81.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 42' ' ' MET . 9.6 t70 -72.06 -33.94 68.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.232 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mtp -65.84 -36.49 83.61 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.064 0.459 . . . . 0.0 109.88 173.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.03 -37.16 94.49 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 173.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.408 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 18.6 tmm? -62.07 -42.65 99.42 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 175.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.428 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 37.9 ttp -55.55 -45.43 77.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.261 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.98 89.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.325 177.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -68.03 -42.18 81.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.735 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.2 p -62.51 -45.88 90.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.598 0.237 . . . . 0.0 110.867 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.3 t -65.05 -42.16 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.245 0.545 . . . . 0.0 110.037 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -60.54 -52.93 63.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.476 -178.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.645 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 35.2 m -60.05 -45.55 92.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.422 -175.064 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -62.53 -31.97 72.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.233 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.9 mmm -73.49 -26.18 60.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.86 0.362 . . . . 0.0 111.065 176.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -82.93 -25.64 32.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.41 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.645 ' HG2' ' O ' ' A' ' 49' ' ' SER . 1.6 mmmp? -75.05 -19.82 59.84 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.417 ' SD ' ' HD2' ' A' ' 62' ' ' ARG . 65.1 mtm -109.03 -168.66 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.145 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.64 -148.43 5.04 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.643 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.55 136.6 43.36 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.441 2.094 . . . . 0.0 111.762 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.4 t30 63.18 86.17 0.15 Allowed Pre-proline 0 N--CA 1.464 0.255 0 O-C-N 123.603 0.565 . . . . 0.0 111.054 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -86.35 164.65 9.63 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.045 2.496 . . . . 0.0 112.329 178.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.1 139.68 47.33 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.574 2.183 . . . . 0.0 112.19 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -61.87 -25.04 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.485 -178.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.433 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 42.8 m80 -55.5 -58.09 9.19 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.208 0.528 . . . . 0.0 109.956 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.635 ' HG2' ' HG3' ' B' ' 42' ' ' MET . 66.4 mtt180 -64.13 -36.81 85.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.17 -176.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 67.5 mt -60.24 -52.62 64.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.744 0.307 . . . . 0.0 111.001 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 21.5 ptt180 -65.78 -33.23 75.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.6 -177.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.73 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -73.52 -46.27 48.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.659 -178.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.585 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 92.8 mmm -66.08 -24.47 66.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.818 -177.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -53.29 -55.76 22.07 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.529 173.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.0 m -76.8 -34.54 57.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.012 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.537 ' HB3' ' HA ' ' A' ' 66' ' ' MET . . . -58.03 -51.62 68.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.29 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.3 ttt -59.24 -41.39 88.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 110.781 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.17 -43.19 98.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.99 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.91 -33.88 76.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.927 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 45.4 mt-10 -64.84 -27.53 68.94 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.5 t -80.3 -44.41 22.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.096 0.474 . . . . 0.0 110.223 174.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.83 92.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.718 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -60.08 -38.61 83.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.973 0.416 . . . . 0.0 110.707 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.613 HG13 ' HB3' ' A' ' 36' ' ' GLN . 54.7 t -67.4 -43.6 87.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.779 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.58 -42.81 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.088 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.41 -30.64 71.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.532 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.4 m -85.7 76.73 9.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.318 0.58 . . . . 0.0 110.363 178.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 61.4 p -154.01 167.72 13.18 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.637 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.68 145.32 99.07 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.263 1.975 . . . . 0.0 111.053 174.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.23 -17.67 44.98 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.178 1.919 . . . . 0.0 112.329 -172.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -93.9 -1.54 54.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.095 0.474 . . . . 0.0 110.364 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.4 m -122.43 -1.49 9.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.024 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -58.29 -47.07 84.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.363 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.1 t -66.92 -35.24 79.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.987 0.422 . . . . 0.0 110.163 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.52 -49.86 69.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.89 -44.61 96.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.477 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.5 -52.25 66.16 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.706 -178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -59.18 -43.74 92.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.23 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.3 m -58.24 -46.23 86.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.5 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.504 ' HA ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -68.68 -42.74 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 177.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.92 -40.42 95.29 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.057 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -66.63 -46.83 74.53 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 174.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.8 m -54.91 -45.87 74.79 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.448 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.715 HD12 HD21 ' A' ' 22' ' ' LEU . 3.6 mp -49.52 -49.97 43.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.987 0.423 . . . . 0.0 111.349 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.511 ' HG3' HG21 ' A' ' 108' ' ' VAL . 80.4 ttt180 -65.08 -49.23 70.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.909 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 22.2 mm-40 -63.42 -47.41 82.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.026 -179.169 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.6 m -56.44 -46.4 80.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.36 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.56 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 14.1 mmt -59.56 -50.28 74.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.795 0.331 . . . . 0.0 110.655 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.1 ttm -63.1 -38.23 90.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.56 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -84.48 -9.26 58.53 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -177.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.32 -48.35 5.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.948 0.404 . . . . 0.0 111.414 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.525 HG21 HG21 ' A' ' 8' ' ' ILE . 65.4 p -111.17 -14.65 13.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.047 0.451 . . . . 0.0 111.745 -173.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.25 1.29 66.92 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.854 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.4 m -149.71 159.24 44.5 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.56 ' HA ' ' HB3' ' A' ' 101' ' ' MET . 7.7 p -107.3 116.37 50.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.413 0.625 . . . . 0.0 111.066 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -78.33 134.23 37.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.096 175.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -94.32 -23.35 17.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.726 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.96 61.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.737 -176.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.468 ' O ' HG23 ' A' ' 116' ' ' VAL . 79.3 t80 -68.2 -49.25 62.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.704 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.63 ' HA ' HD23 ' A' ' 97' ' ' LEU . 43.8 m -57.46 -42.41 82.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.475 -177.454 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -71.56 -39.75 70.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.66 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -59.33 -42.59 91.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 112' ' ' PHE . 58.4 t -59.57 -39.75 80.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.984 0.421 . . . . 0.0 110.752 177.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 27.3 mmt -66.72 -42.19 86.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.245 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -66.98 -44.02 81.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.472 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 24.1 mt -56.41 -50.04 72.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.405 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 12.9 p -70.52 -32.18 48.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.552 -174.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -71.13 -38.06 72.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.922 0.391 . . . . 0.0 110.292 177.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.2 ttp -65.87 -39.98 91.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.899 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.7 mt -71.67 -15.8 62.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.326 -0.426 0 CA-C-O 121.368 0.604 . . . . 0.0 109.92 178.926 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.798 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.5 pp . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.955 0.407 . . . . 0.0 111.502 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -77.37 23.36 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.025 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -86.77 -5.48 59.1 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 172.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -135.56 115.54 11.57 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.635 175.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -68.97 -42.98 3.68 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 123.02 2.48 . . . . 0.0 113.34 -173.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -69.8 -29.53 66.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.287 0.565 . . . . 0.0 110.072 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.07 74.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.182 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.99 83.96 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.755 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' MET . . . . . 0.546 ' HE1' ' HA ' ' B' ' 48' ' ' ASN . 41.7 ttm -60.86 -30.74 70.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.989 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 52.3 m -68.1 -33.19 74.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.015 178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' MET . . . . . 1.073 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.3 OUTLIER -67.43 -41.36 84.94 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.79 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -43.42 98.9 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.426 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -66.26 -45.23 81.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.81 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ASN . . . . . 0.535 ' HA ' ' CG ' ' B' ' 24' ' ' GLN . 85.9 m-20 -65.75 -24.92 67.06 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.508 -178.064 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.476 HD21 ' HA ' ' B' ' 97' ' ' LEU . 32.7 mt -68.01 -45.89 72.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.999 0.428 . . . . 0.0 110.09 172.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 46.3 t -60.07 -49.78 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.423 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.535 ' CG ' ' HA ' ' B' ' 21' ' ' ASN . 3.7 pp0? -62.76 -36.11 81.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.872 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 38.2 t -71.28 -40.17 71.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.25 0.548 . . . . 0.0 110.098 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -65.89 -38.12 87.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.455 0.645 . . . . 0.0 110.768 175.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 34.9 t -66.75 -36.11 81.67 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.408 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 10.8 ptp180 -92.04 0.22 57.47 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -177.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 21.2 p -95.59 -42.62 8.32 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.296 175.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.43 31.63 60.79 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.602 176.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.437 HG13 HD12 ' B' ' 32' ' ' LEU . 14.7 p -103.04 -8.97 9.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.237 0.542 . . . . 0.0 110.393 178.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.5 HD13 ' HB1' ' B' ' 26' ' ' ALA . 5.3 mp -107.03 153.89 21.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.367 178.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 73.5 p -86.01 174.76 8.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.51 178.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.56 -33.15 75.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.738 0.304 . . . . 0.0 110.982 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' B' ' 39' ' ' ASP . 28.5 t0 -62.08 -45.6 92.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.145 0.497 . . . . 0.0 109.743 177.486 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.453 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 52.2 mt-30 -68.69 -44.91 72.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.702 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 79.6 mmm -62.16 -49.0 77.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.831 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.43 -28.99 66.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 110.608 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' B' ' 35' ' ' ASP . 26.6 t0 -65.26 -43.33 91.63 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.2 mtp -67.3 -35.9 80.42 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.399 175.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.72 -41.53 99.05 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.429 -0.669 . . . . 0.0 111.429 175.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.635 ' HG3' ' HG2' ' A' ' 62' ' ' ARG . 17.9 tmm? -63.17 -39.01 93.43 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 176.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' MET . . . . . 0.543 ' O ' HG23 ' B' ' 47' ' ' VAL . 35.0 ttp -56.55 -47.39 79.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.126 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.45 87.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.179 0.514 . . . . 0.0 110.264 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.31 -43.35 86.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.683 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.4 p -65.03 -42.01 94.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.442 0.163 . . . . 0.0 111.206 -178.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 43' ' ' MET . 40.1 t -61.19 -46.82 95.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 121.264 0.554 . . . . 0.0 110.106 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.546 ' HA ' ' HE1' ' B' ' 16' ' ' MET . 57.0 t30 -68.76 -35.09 76.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.237 -176.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 66.9 m -72.42 -23.87 61.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.392 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -79.23 -15.64 57.71 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.658 174.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 95.7 mmm -79.06 -10.54 59.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.372 0.606 . . . . 0.0 109.686 172.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -88.64 -34.22 17.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 170.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.417 ' HE3' ' HB3' ' B' ' 53' ' ' LYS . 27.2 mmmt -67.99 -40.15 83.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.869 175.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' MET . . . . . 0.724 ' SD ' ' HB3' ' B' ' 58' ' ' PRO . 63.9 mtm -95.44 131.94 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.209 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -93.3 -118.11 2.69 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.693 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.2 108.92 2.58 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 122.747 2.298 . . . . 0.0 112.842 -176.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 65.17 92.08 0.07 OUTLIER Pre-proline 0 N--CA 1.468 0.461 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.194 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.724 ' HB3' ' SD ' ' B' ' 54' ' ' MET . 33.2 Cg_exo -60.07 157.57 33.81 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 123.188 2.592 . . . . 0.0 113.519 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.497 ' HD2' ' SD ' ' B' ' 54' ' ' MET . 19.2 Cg_endo -62.56 125.01 15.22 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 123.316 2.677 . . . . 0.0 111.716 176.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -51.4 -40.88 60.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.378 -178.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' HIS . . . . . 0.488 ' HA ' ' HG2' ' B' ' 64' ' ' ARG . 2.0 p-80 -66.92 -31.32 71.83 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.734 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.703 ' HD3' ' SD ' ' B' ' 54' ' ' MET . 34.6 ttt180 -74.86 -25.47 59.0 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.151 -0.62 . . . . 0.0 109.475 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.0 mt -71.29 -51.2 25.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.249 175.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.488 ' HG2' ' HA ' ' B' ' 61' ' ' HIS . 10.2 ptt180 -68.88 -22.26 64.2 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.806 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.02 -50.88 37.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.238 0.542 . . . . 0.0 110.345 174.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 94.9 mmm -64.95 -21.58 66.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.289 -178.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -56.13 -46.31 79.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.267 171.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.485 ' HA ' ' OE1' ' B' ' 115' ' ' GLU . 57.6 m -80.1 -37.59 33.38 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.697 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.508 ' HB3' ' HA ' ' B' ' 66' ' ' MET . . . -61.06 -52.06 66.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.483 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.5 ttt -59.72 -43.02 94.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.951 0.405 . . . . 0.0 110.698 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.32 -43.55 97.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.973 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.69 95.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.921 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.51 ' O ' HG23 ' B' ' 77' ' ' VAL . 43.1 mt-10 -62.38 -46.58 87.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.559 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 44.3 t -60.19 -48.61 87.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.743 0.306 . . . . 0.0 110.873 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.19 -40.41 89.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.804 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.73 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 24.4 tt0 -59.15 -49.15 78.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.55 176.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.51 HG23 ' O ' ' B' ' 73' ' ' GLU . 72.6 t -56.61 -39.61 63.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.215 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.3 t -75.35 -46.72 37.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.176 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.21 -38.68 85.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.515 -177.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 5.1 m -83.99 68.02 9.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.395 0.616 . . . . 0.0 110.443 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.0 p -144.91 171.69 6.29 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.859 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.3 137.18 59.35 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.535 1.49 . . . . 0.0 110.422 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.16 -21.01 57.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.753 2.302 . . . . 0.0 111.849 -175.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -65.51 -50.4 65.41 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.557 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.443 ' O ' HG23 ' B' ' 89' ' ' VAL . 45.5 m -91.27 -9.88 43.48 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.263 -175.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -47.11 -59.74 2.94 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.257 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 40.5 m -58.7 -36.02 73.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.726 -175.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.79 -46.56 57.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.14 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 85' ' ' SER . 87.1 t -59.14 -42.66 87.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.204 0.525 . . . . 0.0 109.924 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.68 -51.63 69.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.694 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -60.09 -38.74 83.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.604 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 84.2 m -64.51 -53.7 44.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.77 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.51 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.7 OUTLIER -60.05 -44.93 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.06 179.694 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.97 -43.05 87.89 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.394 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.08 -41.4 74.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.671 0.272 . . . . 0.0 110.746 178.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 94.7 m -62.3 -34.48 76.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.334 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 1.073 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 2.5 mp -58.58 -51.58 69.31 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.701 0.286 . . . . 0.0 111.327 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.518 ' HG3' HG21 ' B' ' 108' ' ' VAL . 39.4 ttp180 -55.92 -45.8 78.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.513 -178.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.57 -47.29 70.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.931 -177.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 58.1 m -55.88 -42.13 75.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.528 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.522 ' SD ' ' HG3' ' B' ' 18' ' ' MET . 13.9 mmt -63.56 -44.03 95.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.906 0.384 . . . . 0.0 110.911 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 23.9 ttm -68.45 -26.18 65.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.117 -177.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -85.75 -34.36 21.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.822 0.344 . . . . 0.0 110.968 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.09 -53.84 8.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.384 -177.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.798 HG21 ' HB ' ' B' ' 8' ' ' ILE . 81.4 p -103.57 -48.62 3.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.241 0.543 . . . . 0.0 110.691 -177.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.98 -0.69 6.68 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.482 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 48.3 m -147.91 149.2 31.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.518 HG21 ' HG3' ' B' ' 98' ' ' ARG . 2.9 p -85.61 111.08 20.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.383 0.611 . . . . 0.0 111.537 -176.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -68.3 111.85 4.84 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.726 175.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.22 -28.45 42.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.42 -175.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.97 87.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.965 0.412 . . . . 0.0 110.716 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.401 ' O ' HG23 ' B' ' 116' ' ' VAL . 81.5 t80 -69.06 -51.97 33.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.416 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.602 ' HA ' HD23 ' B' ' 97' ' ' LEU . 15.2 m -57.96 -32.72 68.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.765 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -70.74 -47.02 61.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.607 0.241 . . . . 0.0 110.842 178.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.485 ' OE1' ' HA ' ' B' ' 68' ' ' THR . 23.2 tt0 -58.58 -44.32 89.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 -176.22 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.523 HG21 HD21 ' B' ' 97' ' ' LEU . 64.8 t -59.47 -39.54 79.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.759 -178.125 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 28.2 mmt -68.01 -39.34 83.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.961 0.41 . . . . 0.0 110.547 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -76.38 -34.91 58.88 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.264 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.87 -51.08 71.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.055 176.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.39 -37.51 79.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.091 -175.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -63.86 -40.69 97.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.939 0.4 . . . . 0.0 110.562 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 45.8 ttp -68.87 -44.28 73.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.889 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 89.2 mt -75.98 -5.2 45.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.907 0.384 . . . . 0.0 111.02 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 23.1 t -84.7 -1.9 56.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.556 0.693 . . . . 0.0 109.842 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.341 177.543 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.448 HG23 ' HB2' ' A' ' 109' ' ' ASP . 6.2 pt . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 120.693 0.282 . . . . 0.0 111.413 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -73.41 87.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.697 0.761 . . . . 0.0 111.769 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.32 -37.45 0.21 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.36 -1.291 . . . . 0.0 108.876 175.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.419 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 45.6 m-80 -101.57 127.7 30.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.119 170.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 11' ' ' ASN . 7.4 Cg_exo -65.62 -55.72 0.41 Allowed 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.627 2.218 . . . . 0.0 112.826 -172.129 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -72.25 -26.11 61.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.387 -174.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.89 77.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.102 0.477 . . . . 0.0 110.125 176.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.46 -34.85 68.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.874 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.482 ' HE2' HG12 ' A' ' 47' ' ' VAL . 50.7 ttm -59.55 -29.08 67.66 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.116 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.7 m -60.77 -36.32 78.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.956 0.408 . . . . 0.0 110.083 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.821 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -65.85 -41.44 91.69 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.06 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -60.29 -50.38 73.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.992 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.77 -42.12 97.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.983 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -69.14 -25.54 64.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.372 -177.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 22' ' ' LEU . 17.1 mt -63.97 -47.57 79.88 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.32 173.209 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.74 -41.02 88.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.113 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -62.18 -39.96 94.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.976 176.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.543 ' HA ' ' HD3' ' A' ' 28' ' ' ARG . 12.6 t -70.26 -35.53 73.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.956 0.407 . . . . 0.0 110.509 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.09 -38.7 75.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.013 0.435 . . . . 0.0 110.76 176.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.8 t -72.2 -21.44 61.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.442 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.543 ' HD3' ' HA ' ' A' ' 25' ' ' CYS . 1.6 ptm180 -94.29 -17.7 22.37 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 111.043 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.9 p -88.45 -43.95 11.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.954 0.407 . . . . 0.0 110.576 177.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.01 24.9 75.87 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.906 -0.588 . . . . 0.0 113.107 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.5 t -83.59 -27.69 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.373 0.606 . . . . 0.0 110.221 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.573 ' HB3' ' HB2' ' A' ' 36' ' ' GLN . 5.6 mp -86.59 154.28 21.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.012 -174.423 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 75.8 p -87.85 178.41 6.72 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.603 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.69 94.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.561 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -51.46 -52.97 41.94 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.465 176.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.573 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 42.5 mt-30 -67.64 -45.44 75.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.448 -176.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 86.3 mmm -64.7 -43.84 92.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.672 -177.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -63.43 -35.21 79.69 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.115 0.483 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.506 ' HB3' HG22 ' A' ' 77' ' ' VAL . 1.9 t70 -63.69 -45.08 91.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.385 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.421 ' O ' ' HB3' ' A' ' 43' ' ' MET . 91.3 mtp -66.94 -30.93 71.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.664 178.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.98 -50.02 67.14 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.999 177.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -68.22 -25.46 65.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.649 0.261 . . . . 0.0 110.328 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.424 ' O ' HG23 ' A' ' 47' ' ' VAL . 48.4 ttp -58.82 -54.3 48.7 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.06 0.457 . . . . 0.0 110.189 176.071 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.5 83.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.552 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.4 -42.54 92.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.308 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.2 p -64.85 -30.21 71.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.675 0.274 . . . . 0.0 111.3 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.482 HG12 ' HE2' ' A' ' 16' ' ' MET . 59.2 t -73.52 -42.14 56.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.253 0.549 . . . . 0.0 110.128 175.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -69.01 -41.9 77.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.702 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.686 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 12.4 p -64.8 -24.58 67.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.375 -178.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -65.64 -38.83 90.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 51' ' ' MET . 0.6 OUTLIER -67.35 -39.46 85.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.568 -179.097 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.686 ' HG2' ' HA ' ' A' ' 49' ' ' SER . 17.8 pt20 -77.08 -28.34 54.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.043 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -73.84 -36.19 64.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.033 0.444 . . . . 0.0 110.451 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 56.6 mtm -94.04 -163.23 1.02 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.083 177.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.16 -170.87 13.05 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.483 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.15 147.31 72.72 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.589 2.193 . . . . 0.0 111.742 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.2 m120 60.54 74.7 0.52 Allowed Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.887 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -88.28 172.01 5.24 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.911 2.407 . . . . 0.0 113.044 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -63.93 140.07 71.1 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.933 2.422 . . . . 0.0 111.934 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -65.65 -40.11 92.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.884 -176.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.563 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 11.6 p80 -63.55 -25.76 68.39 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.257 -178.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.551 ' O ' ' HG2' ' A' ' 66' ' ' MET . 96.5 mtt180 -71.48 -35.02 70.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.052 0.453 . . . . 0.0 110.104 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.92 -45.15 44.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.593 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 61' ' ' HIS . 1.8 ppt_? -60.46 -29.34 68.97 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.217 178.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.633 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -71.46 -45.0 63.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.948 178.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 97.2 mmm -59.78 -26.5 65.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.92 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' A' ' 64' ' ' ARG . 17.1 t-20 -52.24 -52.75 50.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.901 173.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.2 m -75.87 -33.65 59.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.381 -177.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.94 -48.12 83.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.043 0.449 . . . . 0.0 110.399 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.9 ttt -63.0 -44.7 95.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.809 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.39 93.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.445 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.91 92.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.985 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.559 ' O ' HG23 ' A' ' 77' ' ' VAL . 24.4 mm-40 -62.3 -47.55 83.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.439 178.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.44 -42.51 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 0.0 110.587 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.5 93.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.743 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -56.9 -39.46 74.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.535 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 73' ' ' GLU . 54.8 t -64.37 -48.22 86.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.107 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.443 HG11 ' CD1' ' A' ' 90' ' ' LEU . 36.4 t -72.31 -40.94 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.176 -177.254 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.59 -30.81 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 0.0 111.558 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.8 m -90.38 78.98 6.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.512 0.672 . . . . 0.0 110.368 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.8 p -158.35 168.85 11.61 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.343 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.09 142.11 97.66 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.012 1.808 . . . . 0.0 110.528 173.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.63 -20.53 69.38 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.502 2.135 . . . . 0.0 112.117 -171.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -88.29 -20.55 25.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.649 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.5 t -102.19 -16.7 16.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.139 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -51.42 -46.14 62.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.387 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.3 t -64.07 -41.82 97.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.687 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.69 -48.31 77.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.027 0.441 . . . . 0.0 110.648 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.471 HG13 ' HG ' ' A' ' 32' ' ' LEU . 93.9 t -63.96 -44.07 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.77 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.695 HD11 HG11 ' A' ' 120' ' ' VAL . 26.5 tp -61.85 -47.22 86.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 -177.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.53 -38.35 84.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.048 0.451 . . . . 0.0 110.336 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.6 m -64.12 -54.12 38.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.811 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.507 ' HA ' HD13 ' A' ' 93' ' ' ILE . 0.7 OUTLIER -60.3 -46.66 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 179.09 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.54 -40.4 87.0 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.487 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.72 75.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.684 0.278 . . . . 0.0 110.747 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.521 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 96.6 m -64.89 -39.35 93.4 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.492 -179.072 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.821 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 7.3 mp -54.31 -40.0 67.52 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.031 0.443 . . . . 0.0 111.084 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -67.1 -45.83 76.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.912 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.521 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 11.9 pt-20 -77.51 -36.06 52.92 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.499 -176.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.0 m -60.84 -35.3 76.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.428 176.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.481 ' SD ' ' HG3' ' A' ' 18' ' ' MET . 13.0 mmt -66.03 -44.2 85.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.881 177.022 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.459 ' O ' ' HA2' ' A' ' 106' ' ' GLY . 33.3 ttm -71.91 -21.7 61.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.924 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 99' ' ' GLU . 79.9 mt-30 -82.22 -40.84 21.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.962 0.41 . . . . 0.0 110.173 175.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.05 -53.17 10.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.802 -177.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.5 p -107.38 -33.1 7.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.085 0.469 . . . . 0.0 111.347 -175.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 102' ' ' MET . . . 104.19 -1.46 43.83 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.333 -176.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.6 p -132.09 148.48 52.49 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.342 -0.429 . . . . 0.0 109.902 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.2 t -85.12 103.63 12.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.086 0.469 . . . . 0.0 110.903 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.448 ' HB2' HG23 ' A' ' 8' ' ' ILE . 10.2 t70 -72.0 131.42 42.89 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 173.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -105.36 -27.42 11.49 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.468 -175.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.23 90.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -73.97 -49.18 25.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.316 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.701 ' HA ' HD23 ' A' ' 97' ' ' LEU . 7.8 m -56.97 -40.95 77.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.552 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.495 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 11.3 t30 -69.41 -43.16 74.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.557 0.218 . . . . 0.0 110.473 178.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.21 -48.15 76.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -177.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.466 HG21 HD21 ' A' ' 97' ' ' LEU . 61.1 t -61.57 -40.16 85.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.377 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.422 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 31.2 mmt -66.4 -29.59 69.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -176.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 11.2 mm100 -85.47 -38.06 19.03 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.36 -179.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.03 -47.96 76.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.295 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.695 HG11 HD11 ' A' ' 90' ' ' LEU . 13.2 p -66.33 -34.19 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.652 -174.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 117' ' ' MET . 95.7 mttt -65.23 -46.22 81.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.324 0.583 . . . . 0.0 110.211 178.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 34.1 ttp -66.04 -39.16 89.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.429 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.403 HD11 HG21 ' B' ' 68' ' ' THR . 72.3 mt -71.15 -9.94 58.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.645 0.259 . . . . 0.0 111.633 -177.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.689 179.84 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.966 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.6 pp . . . . . 0 C--O 1.235 0.303 0 CA-C-O 121.22 0.533 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' TRP . . . . . 0.405 ' CD1' ' HB3' ' B' ' 63' ' ' LEU . 1.9 t-105 -80.22 74.37 7.05 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.464 0.65 . . . . 0.0 110.607 -171.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 17.8 m -122.33 -25.0 4.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.078 175.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -111.53 137.96 21.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.152 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -67.12 -43.22 6.69 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.628 2.219 . . . . 0.0 112.408 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -62.38 -44.45 96.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.151 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.28 99.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.134 0.492 . . . . 0.0 110.593 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.92 -43.6 95.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.715 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 41.1 ttm -62.08 -39.14 91.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.294 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 36.4 m -59.19 -45.71 90.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.693 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' MET . . . . . 1.017 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -59.1 -43.91 91.91 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.926 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.5 m -61.43 -50.77 71.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.986 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.35 -42.63 98.93 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -65.51 -29.6 70.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.269 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' B' ' 22' ' ' LEU . 24.7 mt -64.31 -46.39 83.77 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 173.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.78 -43.83 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.149 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 48.5 mt-30 -61.68 -44.35 97.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 177.182 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' CYS . . . . . 0.547 ' HA ' ' HD3' ' B' ' 28' ' ' ARG . 8.5 t -67.1 -32.02 72.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.964 0.411 . . . . 0.0 110.62 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.473 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -70.86 -40.5 72.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.242 0.544 . . . . 0.0 110.938 175.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 24.2 t -66.15 -39.6 89.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.793 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.547 ' HD3' ' HA ' ' B' ' 25' ' ' CYS . 3.0 ptm180 -75.65 -31.92 60.0 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.388 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.3 p -72.09 -49.59 35.1 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.534 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.87 24.08 62.8 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.552 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.442 HG13 HD12 ' B' ' 32' ' ' LEU . 12.6 p -95.94 -6.22 9.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.444 0.64 . . . . 0.0 110.445 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 6.1 mp -101.4 150.49 22.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.577 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 72.5 p -90.31 -179.33 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.891 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.0 -44.81 87.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.2 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.596 ' O ' ' HB2' ' B' ' 39' ' ' ASP . 16.2 m-20 -62.62 -41.39 98.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.576 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.507 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 52.3 mt-30 -70.07 -44.14 69.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.038 -179.034 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 83.9 mmm -67.62 -50.4 58.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.797 -177.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.06 -34.33 76.06 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.036 0.446 . . . . 0.0 110.307 -178.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.596 ' HB2' ' O ' ' B' ' 35' ' ' ASP . 0.4 OUTLIER -59.42 -53.66 55.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.499 177.422 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.587 ' HG2' HG21 ' B' ' 77' ' ' VAL . 1.1 mtm -66.63 -30.94 71.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.614 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.33 -46.41 90.74 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.33 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.42 ' HG2' ' O ' ' B' ' 39' ' ' ASP . 24.9 ptt? -71.01 -24.23 62.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.049 0.452 . . . . 0.0 110.034 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' MET . . . . . 0.675 ' SD ' ' HG2' ' B' ' 70' ' ' MET . 53.9 ttp -59.43 -52.31 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.265 174.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.24 85.81 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.634 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -55.76 -43.01 76.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.464 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 64.6 m -63.74 -38.33 90.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.857 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 43' ' ' MET . 18.8 t -65.17 -40.36 88.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.156 0.503 . . . . 0.0 109.994 177.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -67.88 -47.08 69.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.541 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 4.4 p -64.08 -33.48 75.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.316 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -58.79 -45.11 90.61 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.676 0.274 . . . . 0.0 110.838 175.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 74.7 mtp -59.13 -32.91 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.757 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -79.15 -24.93 42.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.26 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' B' ' 49' ' ' SER . 2.7 mmmp? -81.99 -20.08 39.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.11 0.481 . . . . 0.0 110.659 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 76.5 mtm -104.23 -66.95 0.92 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.098 -178.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.96 -174.45 19.88 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 -176.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.71 151.57 36.55 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.515 2.143 . . . . 0.0 112.075 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 15.9 m120 59.39 70.26 1.14 Allowed Pre-proline 0 N--CA 1.465 0.291 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.725 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -83.84 168.27 12.46 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.583 2.188 . . . . 0.0 113.206 -175.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -67.0 140.44 54.52 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 123.048 2.499 . . . . 0.0 111.935 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -66.22 -33.58 76.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.754 -177.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' HIS . . . . . 0.58 ' HA ' ' HG3' ' B' ' 64' ' ' ARG . 4.6 p80 -67.45 -32.7 73.73 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.867 -177.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -68.45 -23.62 64.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.248 0.547 . . . . 0.0 109.65 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.405 ' HB3' ' CD1' ' B' ' 9' ' ' TRP . 96.9 mt -80.72 -43.63 19.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.766 177.073 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.58 ' HG3' ' HA ' ' B' ' 61' ' ' HIS . 2.2 ppt_? -65.88 -22.88 66.55 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.756 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.67 -51.57 10.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.636 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.476 ' HA ' ' HB3' ' B' ' 69' ' ' ALA . 92.6 mmm -62.23 -22.48 65.99 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.401 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -55.47 -44.03 76.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.154 0.502 . . . . 0.0 109.785 173.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.403 HG21 HD11 ' A' ' 123' ' ' LEU . 71.0 m -81.47 -34.35 31.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.96 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' B' ' 66' ' ' MET . . . -59.56 -54.83 41.97 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' MET . . . . . 0.675 ' HG2' ' SD ' ' B' ' 43' ' ' MET . 10.8 tmm? -59.66 -42.12 92.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.623 0.725 . . . . 0.0 110.326 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' ALA . . . . . 0.594 ' HB2' ' CE1' ' B' ' 112' ' ' PHE . . . -65.79 -39.89 91.39 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.464 -177.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.71 96.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.742 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.459 ' O ' HG23 ' B' ' 77' ' ' VAL . 3.0 mm-40 -56.06 -56.64 18.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.637 175.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.478 HG22 ' SD ' ' B' ' 40' ' ' MET . 65.4 t -53.43 -49.01 56.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.532 178.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.82 99.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.529 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.633 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 40.6 tt0 -66.07 -39.26 89.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.743 0.306 . . . . 0.0 110.25 178.147 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.587 HG21 ' HG2' ' B' ' 40' ' ' MET . 41.6 t -57.32 -39.99 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.588 175.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 74' ' ' VAL . 77.0 t -71.38 -52.11 28.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.034 177.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.418 ' HB2' HG23 ' B' ' 120' ' ' VAL . . . -60.42 -35.71 76.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.22 -176.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 15.3 m -87.33 77.55 8.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.46 0.648 . . . . 0.0 110.731 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 66.4 p -156.72 165.32 19.01 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.039 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.0 142.48 99.44 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.076 1.851 . . . . 0.0 110.511 174.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -62.4 -20.99 72.08 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.332 2.021 . . . . 0.0 111.893 -173.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -80.02 -19.38 47.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.113 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.421 ' O ' HG23 ' B' ' 89' ' ' VAL . 11.0 t -111.25 -19.12 12.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.322 -177.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -51.32 -47.31 62.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.862 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 11.1 t -64.01 -39.3 93.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.853 0.359 . . . . 0.0 110.709 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.94 -46.07 72.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 85' ' ' SER . 59.5 t -62.89 -42.89 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.292 178.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.32 -52.21 66.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.388 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -60.22 -34.63 73.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.346 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 97.5 m -68.97 -55.57 10.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.725 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.2 mm -59.08 -46.14 92.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.085 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.25 -41.8 71.59 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.624 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.02 -37.81 57.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.564 0.221 . . . . 0.0 111.347 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' CYS . . . . . 0.456 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 89.7 m -63.63 -33.59 75.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.002 179.152 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 1.017 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 3.1 mp -58.4 -43.21 88.49 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.472 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -63.48 -48.43 77.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.56 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' B' ' 103' ' ' GLN . 13.2 pt-20 -70.48 -38.81 74.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.096 -176.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 74.0 m -59.5 -38.54 81.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.741 0.305 . . . . 0.0 110.7 177.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.665 ' HE1' ' HG3' ' B' ' 18' ' ' MET . 13.7 mmt -62.79 -42.76 99.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.922 178.139 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 102' ' ' MET . . . . . 0.409 ' O ' ' HA2' ' B' ' 106' ' ' GLY . 36.0 ttm -75.57 -21.12 58.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' B' ' 99' ' ' GLU . 17.2 mm-40 -83.0 -28.43 29.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.06 0.457 . . . . 0.0 110.279 175.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.14 -67.51 0.81 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.419 -177.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.966 HG21 ' HB ' ' B' ' 8' ' ' ILE . 82.3 p -92.08 -31.71 15.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.183 0.516 . . . . 0.0 110.614 -177.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 106' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' B' ' 102' ' ' MET . . . 103.17 -1.95 47.3 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -176.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 107' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' B' ' 101' ' ' MET . 22.9 p -131.95 149.97 52.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.443 -0.379 . . . . 0.0 110.194 -178.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 57.4 t -88.91 110.51 21.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.861 -179.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -86.79 109.22 19.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -82.29 -25.42 34.02 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.009 -0.277 . . . . 0.0 110.714 -177.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.18 -48.45 81.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.962 0.41 . . . . 0.0 110.925 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.594 ' CE1' ' HB2' ' B' ' 71' ' ' ALA . 78.9 t80 -67.6 -51.89 45.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.362 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.607 ' HA ' HD23 ' B' ' 97' ' ' LEU . 16.0 m -54.56 -34.76 62.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.669 177.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 114' ' ' ASN . . . . . 0.419 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 9.5 t30 -71.19 -40.67 71.08 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 177.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -54.84 -49.27 71.49 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.285 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.537 HG21 HD21 ' B' ' 97' ' ' LEU . 98.9 t -59.85 -36.59 67.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.439 -178.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 117' ' ' MET . . . . . 0.551 ' O ' ' HG3' ' B' ' 121' ' ' LYS . 31.1 mmt -70.24 -35.16 73.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.029 0.442 . . . . 0.0 110.197 -177.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' B' ' 114' ' ' ASN . 14.1 mm100 -75.24 -42.43 55.3 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.414 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 13.3 mt -55.75 -47.6 76.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.121 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 120' ' ' VAL . . . . . 0.418 HG23 ' HB2' ' B' ' 79' ' ' ALA . 11.9 p -70.22 -35.14 61.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.323 -175.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 121' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' B' ' 117' ' ' MET . 96.8 mttt -67.09 -45.58 76.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.035 0.445 . . . . 0.0 110.192 177.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 31.7 ttp -64.36 -40.11 95.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.018 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 80.0 mt -72.72 -11.69 60.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 111.279 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 18.3 t -98.93 7.92 45.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.125 0.488 . . . . 0.0 109.987 176.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.359 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.93 -178.547 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.669 ' HB ' HG21 ' A' ' 105' ' ' THR . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.98 0.419 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -87.14 75.3 9.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.252 0.549 . . . . 0.0 111.431 -176.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 p -120.87 -42.08 2.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.799 172.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -109.94 126.14 29.66 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.459 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -66.28 -33.27 39.59 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.675 2.25 . . . . 0.0 112.569 -175.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -71.92 -32.93 67.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.889 0.376 . . . . 0.0 110.32 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.48 86.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.095 0.474 . . . . 0.0 109.979 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.82 90.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.311 175.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.0 ttm -60.78 -29.66 69.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.856 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.5 m -62.36 -40.45 96.46 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.499 ' HE3' ' HG ' ' A' ' 97' ' ' LEU . 12.0 tpt -62.56 -42.19 99.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.305 174.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -63.39 -52.08 63.12 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.206 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -63.72 -44.89 92.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.302 -177.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.57 -33.82 75.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 0.0 110.555 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.666 HD11 HD12 ' A' ' 97' ' ' LEU . 12.3 tp -64.21 -45.39 88.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.278 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.7 t -66.28 -41.53 89.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.811 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -64.26 -35.22 80.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.658 0.266 . . . . 0.0 110.503 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.05 -35.06 79.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.341 0.591 . . . . 0.0 109.938 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -74.2 -35.73 63.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.292 0.568 . . . . 0.0 110.96 177.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.1 t -71.44 -26.47 62.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.266 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -90.01 -22.66 21.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.616 0.246 . . . . 0.0 111.107 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 p -82.21 -39.83 22.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.717 0.294 . . . . 0.0 110.922 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.25 8.92 80.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.63 177.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.586 HG13 HD12 ' A' ' 32' ' ' LEU . 14.2 p -79.12 -21.32 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.967 0.413 . . . . 0.0 110.389 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.586 HD12 HG13 ' A' ' 31' ' ' VAL . 5.4 mp -94.94 151.9 18.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.997 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.513 ' O ' ' HG2' ' A' ' 37' ' ' MET . 44.6 p -85.16 170.1 13.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.285 178.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.84 -30.56 71.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.95 0.405 . . . . 0.0 110.628 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.12 -54.0 51.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.552 174.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.461 ' HB3' ' CG1' ' A' ' 77' ' ' VAL . 47.8 mt-30 -65.44 -31.63 72.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.325 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 33' ' ' THR . 88.1 mmm -68.8 -27.14 65.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.057 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.515 ' HB3' ' CE1' ' B' ' 61' ' ' HIS . 35.3 t70 -82.03 -28.42 32.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 177.444 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.525 ' OD2' ' HB2' ' B' ' 65' ' ' ALA . 0.9 OUTLIER -56.33 -60.86 2.91 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.501 0.667 . . . . 0.0 109.574 170.293 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.598 ' HG3' HG21 ' A' ' 77' ' ' VAL . 86.3 mtp -67.11 -26.42 66.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.704 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.13 -49.94 63.55 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.9 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.477 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 12.5 ptt? -71.81 -19.74 61.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.02 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.469 ' O ' HG23 ' A' ' 47' ' ' VAL . 57.4 ttp -60.52 -53.23 60.05 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 174.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.79 93.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.23 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.477 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 27.4 t70 -59.12 -42.63 91.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.042 177.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m -65.77 -33.85 76.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.82 0.343 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 43' ' ' MET . 47.8 t -70.01 -46.06 74.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.038 0.447 . . . . 0.0 110.009 176.452 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -64.76 -46.56 81.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.875 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.734 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 15.7 p -64.35 -33.53 76.05 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.3 -178.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.62 ' O ' ' HG2' ' A' ' 54' ' ' MET . 41.5 mt-30 -67.46 -33.69 75.64 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.241 -0.583 . . . . 0.0 111.294 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.516 ' HA ' ' HG2' ' A' ' 54' ' ' MET . 55.8 mtp -67.74 -21.42 65.28 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -97.03 -13.61 22.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.833 0.349 . . . . 0.0 110.789 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.734 ' HG2' ' O ' ' A' ' 49' ' ' SER . 75.0 mmtt -80.65 -35.02 34.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.261 0.553 . . . . 0.0 109.555 171.123 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.62 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 24.7 ptp -90.16 172.86 8.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.219 179.011 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -111.51 -172.47 19.36 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.874 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.68 129.18 26.84 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.668 2.245 . . . . 0.0 111.595 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.8 t30 59.23 84.5 0.2 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.853 -172.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.562 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 74.2 Cg_endo -74.09 167.88 26.13 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.083 2.522 . . . . 0.0 112.795 -174.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -58.97 125.31 17.83 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.349 2.033 . . . . 0.0 111.412 174.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -58.87 -36.27 74.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.342 -175.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.781 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 5.5 p80 -68.1 -20.2 64.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.171 0.51 . . . . 0.0 110.854 -178.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.57 ' O ' ' HG3' ' A' ' 66' ' ' MET . 33.8 ttt180 -73.36 -36.95 66.2 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.54 -41.17 93.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.697 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.781 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 38.8 ptt180 -61.3 -40.17 93.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.447 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.523 ' HA ' ' HG3' ' B' ' 76' ' ' GLU . . . -68.67 -41.47 79.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.93 0.395 . . . . 0.0 111.133 178.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.57 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 82.1 mtp -67.39 -20.9 65.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.572 -176.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -56.96 -51.99 66.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.852 0.358 . . . . 0.0 110.344 174.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.49 HG22 ' HB1' ' B' ' 72' ' ' ALA . 7.1 m -72.78 -26.8 61.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.875 -178.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.04 -61.07 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.381 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.418 ' HB3' ' HE2' ' A' ' 70' ' ' MET . 57.7 ttp -60.57 -35.92 77.24 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.883 0.373 . . . . 0.0 110.582 -179.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.47 ' HB2' ' CE1' ' A' ' 112' ' ' PHE . . . -65.11 -52.77 53.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.512 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.86 83.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.424 -176.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.601 ' O ' HG23 ' A' ' 77' ' ' VAL . 9.9 mm-40 -59.94 -48.03 83.36 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.782 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.29 -44.66 98.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.323 . . . . 0.0 111.05 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.5 -39.37 90.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.645 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -59.51 -44.48 93.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.739 176.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 73' ' ' GLU . 69.1 t -61.57 -44.49 98.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.328 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.29 -47.2 47.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.401 -177.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.38 -38.51 91.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 111.395 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.405 HG21 ' HD2' ' B' ' 64' ' ' ARG . 4.7 m -86.36 68.02 10.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.443 0.64 . . . . 0.0 110.202 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.1 m -137.46 160.74 64.17 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.21 178.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.87 136.27 72.45 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.733 1.622 . . . . 0.0 110.384 173.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -62.84 -15.27 46.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.612 2.208 . . . . 0.0 112.463 -172.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -80.08 -13.69 59.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.232 -178.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.5 t -132.69 7.56 4.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.766 0.317 . . . . 0.0 111.221 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -57.63 -49.78 75.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.549 -178.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 t -65.29 -35.5 81.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.78 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.0 -49.69 71.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.081 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.74 -43.64 98.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.04 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.8 -51.55 69.12 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.399 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -55.61 -43.52 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.33 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.2 m -61.56 -56.63 17.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.225 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.4 mm -59.56 -45.27 94.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.318 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.81 -36.72 73.86 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.492 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.87 -39.24 51.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.656 0.265 . . . . 0.0 110.821 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.528 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 72.2 m -62.29 -40.77 97.37 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.682 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.666 HD12 HD11 ' A' ' 22' ' ' LEU . 6.3 mp -54.19 -40.34 67.47 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.906 0.384 . . . . 0.0 111.211 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.47 ' HG3' HG11 ' A' ' 108' ' ' VAL . 76.7 ttt180 -64.58 -48.98 72.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.733 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.528 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 14.8 pt-20 -76.32 -32.59 58.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.383 -174.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.4 m -63.81 -41.08 97.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.923 -0.126 . . . . 0.0 110.665 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.46 ' HB3' ' O ' ' A' ' 107' ' ' SER . 11.4 mmt -63.51 -41.62 98.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.933 0.397 . . . . 0.0 110.95 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 28.6 ttm -70.27 -19.97 63.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -96.87 -6.08 36.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.184 0.516 . . . . 0.0 110.549 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -99.89 -58.9 1.82 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.789 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.669 HG21 ' HB ' ' A' ' 8' ' ' ILE . 79.8 p -111.83 -16.52 13.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.118 0.485 . . . . 0.0 111.261 -177.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.19 1.56 69.47 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.694 -177.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' A' ' 101' ' ' MET . 14.9 m -131.74 153.17 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.339 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.47 HG11 ' HG3' ' A' ' 98' ' ' ARG . 77.9 t -104.27 103.3 15.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.934 0.397 . . . . 0.0 110.726 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.7 119.73 20.13 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.364 175.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -81.08 -23.45 38.47 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.562 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.01 77.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.686 0.279 . . . . 0.0 110.88 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 71' ' ' ALA . 71.1 t80 -71.47 -50.95 26.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.518 -179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.656 ' HA ' HD23 ' A' ' 97' ' ' LEU . 8.6 m -54.71 -40.87 69.65 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.632 178.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.547 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 63.7 t30 -70.21 -42.0 72.92 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -53.15 -50.92 63.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.735 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.564 ' HA ' HD12 ' A' ' 119' ' ' LEU . 59.5 t -64.37 -32.73 58.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.425 -178.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.495 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 27.3 mmt -72.48 -35.94 68.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.124 0.488 . . . . 0.0 109.982 -178.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 75.4 mm-40 -74.85 -37.59 62.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.863 178.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 116' ' ' VAL . 12.6 mt -55.6 -53.39 57.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.85 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.16 -31.27 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.414 -174.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 117' ' ' MET . 96.0 mttt -71.0 -45.26 64.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.053 176.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.508 ' HE1' HD23 ' B' ' 119' ' ' LEU . 43.5 ttp -60.62 -43.53 97.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.98 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 86.0 mt -66.89 -29.96 69.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 110.726 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.327 -0.39 0 CA-C-O 121.63 0.729 . . . . 0.0 110.076 178.983 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.973 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.6 pp . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 121.603 0.716 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' TRP . . . . . 0.45 ' HZ3' ' HE1' ' B' ' 70' ' ' MET . 20.7 t-105 -90.11 29.82 1.17 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.673 -168.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.1 p -92.21 -8.52 45.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.225 0.536 . . . . 0.0 110.219 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.554 ' HB2' ' HB3' ' B' ' 14' ' ' ALA . 83.0 m-20 -118.35 127.84 26.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.347 178.192 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.29 -44.32 2.47 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.669 2.246 . . . . 0.0 113.249 -173.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -76.42 -34.56 58.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.677 0.275 . . . . 0.0 110.546 -178.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.554 ' HB3' ' HB2' ' B' ' 11' ' ' ASN . . . -64.27 -38.37 90.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.114 0.483 . . . . 0.0 109.881 174.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.56 -44.19 94.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.224 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' MET . . . . . 0.444 ' HE3' ' SD ' ' B' ' 51' ' ' MET . 39.2 ttm -59.01 -27.29 65.3 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.914 177.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 14.9 m -63.1 -40.05 96.49 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.343 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' MET . . . . . 0.485 ' CE ' ' HG ' ' B' ' 97' ' ' LEU . 12.1 ttt -63.16 -43.51 98.08 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 175.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.22 -46.2 86.33 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.669 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.89 -42.94 80.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.95 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -64.48 -33.11 75.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.818 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' B' ' 18' ' ' MET . 54.7 mt -61.81 -46.82 87.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.332 . . . . 0.0 110.577 175.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.32 -41.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.419 178.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -63.46 -40.18 96.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.978 176.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' CYS . . . . . 0.61 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 49.0 t -68.56 -39.41 81.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.938 0.399 . . . . 0.0 110.561 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.476 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -64.68 -37.34 87.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.091 0.472 . . . . 0.0 110.491 175.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 47.2 t -72.1 -30.52 65.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.831 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' B' ' 25' ' ' CYS . 9.0 ptm180 -82.84 -15.32 52.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.734 0.302 . . . . 0.0 110.696 -178.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.6 p -94.86 -49.11 5.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.725 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.88 20.41 70.71 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.392 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.542 HG13 HD12 ' B' ' 32' ' ' LEU . 14.9 p -88.16 -12.88 10.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.176 0.512 . . . . 0.0 110.399 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.542 HD12 HG13 ' B' ' 31' ' ' VAL . 5.7 mp -102.9 153.61 20.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.284 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' THR . . . . . 0.423 ' O ' ' HG2' ' B' ' 37' ' ' MET . 78.6 p -87.91 167.65 13.57 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.138 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.72 -33.83 73.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.998 0.428 . . . . 0.0 110.725 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -54.73 -50.84 67.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.962 174.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.472 HE22 ' HB3' ' B' ' 81' ' ' SER . 93.8 mt-30 -71.95 -35.76 69.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.323 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' B' ' 33' ' ' THR . 95.5 mmm -66.3 -33.09 74.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.12 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -74.92 -32.5 61.8 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.445 ' HB3' HG22 ' B' ' 77' ' ' VAL . 0.8 OUTLIER -55.55 -52.6 63.17 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.205 0.526 . . . . 0.0 110.232 170.557 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.473 ' O ' ' HB3' ' B' ' 43' ' ' MET . 87.7 mtp -68.58 -33.64 74.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.956 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.11 -46.26 91.63 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.169 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.431 ' SD ' ' HG3' ' A' ' 62' ' ' ARG . 18.6 ptt? -73.76 -19.98 60.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.096 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' MET . . . . . 0.473 ' HB3' ' O ' ' B' ' 40' ' ' MET . 47.0 ttp -62.24 -48.16 81.18 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 173.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.71 -35.96 82.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.315 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.34 -38.68 92.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.383 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 33.0 t -63.42 -42.7 98.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.397 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 43' ' ' MET . 41.1 t -62.21 -39.51 84.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.356 0.598 . . . . 0.0 109.656 176.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -64.76 -46.74 80.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.992 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.628 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 11.4 p -69.41 -26.4 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.524 -177.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.572 ' O ' ' HG2' ' B' ' 54' ' ' MET . 16.0 mm100 -74.17 -24.54 59.4 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.089 -0.382 . . . . 0.0 110.901 175.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' MET . . . . . 0.444 ' SD ' ' HE3' ' B' ' 16' ' ' MET . 52.5 mtp -76.41 -20.58 56.96 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.138 176.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.531 ' HG2' ' HA ' ' B' ' 49' ' ' SER . 10.0 pt20 -93.92 -13.23 27.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.915 0.388 . . . . 0.0 110.458 174.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' B' ' 49' ' ' SER . 34.8 mmtp -71.25 -35.76 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 169.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' MET . . . . . 0.572 ' HG2' ' O ' ' B' ' 50' ' ' GLN . 22.2 ptp -96.96 -175.49 3.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.585 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.83 -144.61 4.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.566 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -70.99 -20.49 28.99 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.186 2.591 . . . . 0.0 112.23 -178.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -130.4 79.37 72.55 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.12 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.549 ' HB3' ' HB2' ' B' ' 54' ' ' MET . 91.8 Cg_endo -81.03 160.53 20.8 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.428 2.085 . . . . 0.0 113.142 -178.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.407 ' HB2' ' CD2' ' B' ' 61' ' ' HIS . 74.3 Cg_endo -80.62 111.6 2.58 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.09 2.527 . . . . 0.0 111.302 174.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.94 -23.81 65.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.668 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' HIS . . . . . 0.65 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 5.7 p80 -69.1 -25.57 64.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.103 0.478 . . . . 0.0 110.539 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' B' ' 66' ' ' MET . 95.0 mtt180 -73.51 -21.98 60.25 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.446 175.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 79.4 mt -76.84 -37.37 55.76 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.444 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 50.3 ptt85 -63.87 -35.9 82.17 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.397 -0.521 . . . . 0.0 109.671 176.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.525 ' HB2' ' OD2' ' A' ' 39' ' ' ASP . . . -68.38 -41.16 80.99 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.905 0.384 . . . . 0.0 111.034 175.007 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' B' ' 62' ' ' ARG . 61.1 mtp -67.51 -24.87 65.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.78 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -57.57 -56.2 25.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.898 0.38 . . . . 0.0 110.161 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 12.6 m -69.14 -24.33 64.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.908 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.2 -58.56 7.82 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.986 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' MET . . . . . 0.45 ' HE1' ' HZ3' ' B' ' 9' ' ' TRP . 47.4 ttp -61.77 -39.82 93.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.204 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' ALA . . . . . 0.538 ' HB1' HG22 ' B' ' 116' ' ' VAL . . . -59.52 -48.08 83.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.408 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.49 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -69.89 -36.97 75.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.372 -178.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.553 ' O ' HG23 ' B' ' 77' ' ' VAL . 28.5 mm-40 -59.29 -46.05 89.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.773 0.321 . . . . 0.0 110.415 177.238 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.14 -44.63 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 177.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.46 91.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.813 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.523 ' HG3' ' HA ' ' A' ' 65' ' ' ALA . 5.6 tm-20 -58.64 -49.26 78.18 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.99 176.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.553 HG23 ' O ' ' B' ' 73' ' ' GLU . 94.7 t -58.03 -44.36 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.267 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.3 t -70.37 -42.89 78.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.107 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.34 -39.94 85.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.426 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' THR . . . . . 0.659 HG21 ' HD2' ' A' ' 64' ' ' ARG . 22.9 m -80.41 79.88 6.94 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.544 0.687 . . . . 0.0 110.218 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.472 ' HB3' HE22 ' B' ' 36' ' ' GLN . 55.4 p -151.74 172.55 5.32 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.94 179.198 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.77 127.98 20.97 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.182 1.255 . . . . 0.0 109.673 169.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.92 -14.46 37.06 Favored 'Trans proline' 0 CA--C 1.526 0.117 0 C-N-CA 122.799 2.332 . . . . 0.0 112.578 -170.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -85.39 -17.29 37.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.944 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 32.2 t -117.48 3.64 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.385 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -56.07 -42.67 77.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.515 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 35.4 t -61.99 -42.23 98.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.191 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.49 -50.0 71.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.01 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.2 -42.13 94.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.384 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.29 -53.11 62.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.634 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -57.66 -37.18 72.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.514 -178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.422 ' OG1' HG11 ' B' ' 31' ' ' VAL . 87.0 m -62.89 -59.04 5.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.456 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.0 OUTLIER -56.85 -40.64 72.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.187 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -53.0 -46.73 60.94 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 121.209 -0.519 . . . . 0.0 112.373 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.33 -36.07 61.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.712 0.291 . . . . 0.0 110.873 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' CYS . . . . . 0.563 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 89.2 m -59.62 -37.83 79.68 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' B' ' 113' ' ' THR . 4.7 mp -58.34 -42.16 86.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.891 0.377 . . . . 0.0 110.834 178.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -65.86 -49.6 67.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.462 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.563 ' HG2' ' HA ' ' B' ' 96' ' ' CYS . 10.1 pt-20 -69.04 -32.64 72.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.224 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 67.2 m -62.52 -39.85 94.85 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.389 0.137 . . . . 0.0 110.675 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.439 ' HB3' ' O ' ' B' ' 107' ' ' SER . 15.2 mmt -61.71 -47.34 85.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.887 178.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 14.2 ttm -66.76 -33.67 76.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -85.17 -3.57 58.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.918 0.389 . . . . 0.0 111.442 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -106.59 -63.97 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.186 0.517 . . . . 0.0 111.146 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.973 HG21 ' HB ' ' B' ' 8' ' ' ILE . 75.9 p -100.14 -25.35 14.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.242 -174.106 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 99.96 -0.93 56.36 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 107' ' ' SER . . . . . 0.439 ' O ' ' HB3' ' B' ' 101' ' ' MET . 39.6 m -132.73 154.15 50.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.097 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 55.6 t -111.0 119.71 60.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.99 0.424 . . . . 0.0 111.328 -178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -100.96 123.52 45.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.915 173.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -91.21 -16.52 27.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.671 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.83 77.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.781 0.324 . . . . 0.0 110.888 -177.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.418 ' O ' HG23 ' B' ' 116' ' ' VAL . 82.4 t80 -64.55 -54.88 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.043 177.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.534 ' HA ' HD23 ' B' ' 97' ' ' LEU . 13.9 m -48.78 -45.49 40.16 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.999 176.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 114' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 41.6 t30 -60.7 -47.45 86.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.988 0.423 . . . . 0.0 110.916 177.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -63.41 -36.76 84.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.771 -176.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.625 ' HA ' HD12 ' B' ' 119' ' ' LEU . 64.1 t -65.8 -34.39 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 176.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 117' ' ' MET . . . . . 0.51 ' O ' ' HG3' ' B' ' 121' ' ' LYS . 26.0 mmt -68.25 -30.12 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' B' ' 114' ' ' ASN . 28.9 mm-40 -74.51 -42.64 58.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.789 177.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' B' ' 116' ' ' VAL . 7.2 mt -56.06 -48.22 76.46 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.357 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.67 -30.37 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.367 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 121' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' B' ' 117' ' ' MET . 88.6 mttt -60.81 -53.62 55.11 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.244 0.545 . . . . 0.0 110.242 174.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.535 ' HE1' ' HG ' ' A' ' 119' ' ' LEU . 36.3 ttp -58.55 -39.96 81.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.594 -176.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 79.7 mt -71.9 -5.91 38.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 111.246 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 32.4 t -120.71 14.74 11.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.116 0.484 . . . . 0.0 109.943 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.471 0 CA-C-O 121.16 0.505 . . . . 0.0 111.411 -177.667 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.2 pt . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.668 0.27 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.453 ' CZ2' ' HA ' ' A' ' 67' ' ' ASN . 84.4 m95 -72.1 88.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.824 0.821 . . . . 0.0 111.748 -175.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.7 m -152.69 -44.85 0.1 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.418 176.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.443 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 92.2 m-20 -96.95 121.96 57.86 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.78 174.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 11' ' ' ASN . 17.7 Cg_exo -61.25 -43.84 26.72 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.812 2.341 . . . . 0.0 112.407 -176.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -68.81 -38.41 79.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -176.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.32 -43.93 97.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.414 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.32 82.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.65 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.41 ' HE2' HG12 ' A' ' 47' ' ' VAL . 44.4 ttm -61.68 -30.0 70.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.635 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.8 m -65.37 -35.84 82.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.159 177.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.899 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -65.76 -42.19 91.19 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 176.584 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -62.3 -43.78 98.03 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.831 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -62.33 -54.74 36.18 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.265 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -60.13 -35.16 74.65 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.983 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.564 HD11 HD12 ' A' ' 97' ' ' LEU . 16.0 tp -61.12 -48.01 83.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.713 -179.284 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.5 t -63.94 -39.94 87.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.642 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -66.38 -38.56 87.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.049 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.9 t -65.65 -40.98 93.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.116 0.484 . . . . 0.0 109.976 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.58 -38.86 87.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.152 0.501 . . . . 0.0 110.828 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.5 t -62.63 -40.15 96.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.31 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -83.58 -11.86 56.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.591 -175.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.9 p -79.37 -58.35 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.567 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.54 0.56 60.88 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.767 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.86 HG23 HD12 ' A' ' 32' ' ' LEU . 5.2 m -74.04 -27.11 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.979 0.419 . . . . 0.0 110.538 177.183 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.86 HD12 HG23 ' A' ' 31' ' ' VAL . 5.5 mp -93.21 148.45 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.368 177.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.2 p -84.29 168.78 15.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.967 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.18 -25.81 67.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.067 0.46 . . . . 0.0 110.342 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.48 -55.81 18.31 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.691 176.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.406 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 44.3 mt-30 -62.24 -43.89 97.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.49 177.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 82.5 mmm -62.87 -38.18 89.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.72 -178.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.469 ' OD2' ' HE1' ' B' ' 61' ' ' HIS . 19.7 t70 -67.18 -38.14 84.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.798 0.332 . . . . 0.0 110.576 -178.049 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -64.72 -40.25 95.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.989 0.423 . . . . 0.0 110.532 176.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.565 ' O ' ' HB3' ' A' ' 43' ' ' MET . 90.7 mtp -68.7 -27.02 65.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.165 0.507 . . . . 0.0 110.175 175.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.73 -46.65 93.23 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.65 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.594 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 10.8 ptt? -73.05 -18.46 61.32 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.307 178.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.565 ' HB3' ' O ' ' A' ' 40' ' ' MET . 59.3 ttp -58.63 -56.64 19.53 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 172.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.9 90.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.56 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.594 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 26.1 t70 -61.0 -43.12 99.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.987 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.1 p -65.57 -37.98 88.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.536 0.208 . . . . 0.0 110.969 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 43' ' ' MET . 14.3 t -70.0 -40.12 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.292 0.567 . . . . 0.0 109.493 175.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -57.93 -54.78 43.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.056 -0.974 . . . . 0.0 111.604 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 p -70.93 -32.92 69.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.871 -176.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -72.45 -28.28 62.83 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.348 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -58.18 -52.99 63.27 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.424 176.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -71.66 -18.83 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.056 0.455 . . . . 0.0 110.983 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -70.76 -17.86 62.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.776 172.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.592 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 75.6 mtm -107.26 -52.05 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.37 -149.26 20.09 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.249 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.4 140.39 43.9 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.834 2.356 . . . . 0.0 112.527 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 45.42 70.19 2.14 Favored Pre-proline 0 N--CA 1.464 0.229 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.308 -177.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.592 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 24.5 Cg_exo -65.2 158.03 54.39 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 123.042 2.495 . . . . 0.0 112.743 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.02 119.23 6.21 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.764 2.31 . . . . 0.0 111.629 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -53.41 -32.32 49.09 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -175.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.802 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 34.9 p80 -64.6 -27.88 69.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.2 0.524 . . . . 0.0 111.057 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.559 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 15.0 ttm180 -72.5 -27.63 62.39 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.97 -40.41 53.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.7 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.802 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 32.5 ptt180 -61.85 -37.26 83.81 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.107 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.764 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -76.53 -37.15 57.14 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.059 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.54 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 94.9 mmm -69.03 -23.4 64.07 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 121.173 -0.211 . . . . 0.0 111.028 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.453 ' HA ' ' CZ2' ' A' ' 9' ' ' TRP . 21.4 t30 -55.19 -55.12 34.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.157 0.503 . . . . 0.0 109.895 172.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.485 HG22 ' HB1' ' B' ' 72' ' ' ALA . 28.7 m -73.37 -30.7 63.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.11 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.54 ' HB3' ' HA ' ' A' ' 66' ' ' MET . . . -61.75 -59.67 4.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.925 177.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.1 ttt -55.32 -44.94 76.3 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.809 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.428 ' HB1' HG22 ' A' ' 116' ' ' VAL . . . -62.1 -44.14 97.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.439 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.447 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -68.7 -34.74 76.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.227 -178.346 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 48.4 mt-10 -62.86 -40.89 98.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.432 178.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 78' ' ' VAL . 79.6 t -70.19 -46.18 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.718 176.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.28 75.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.809 0.337 . . . . 0.0 110.886 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.605 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 26.6 tp10 -62.71 -48.91 77.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.513 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.82 -27.97 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.55 -177.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 74' ' ' VAL . 94.7 t -76.86 -35.28 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.882 0.372 . . . . 0.0 110.269 177.255 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.04 -40.75 52.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.132 -177.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.5 m -90.74 72.98 6.68 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.627 0.727 . . . . 0.0 109.957 176.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.5 p -134.11 171.13 9.61 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 114.856 -1.065 . . . . 0.0 108.831 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -58.33 133.61 56.1 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 121.545 1.496 . . . . 0.0 110.736 173.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.63 -11.07 28.93 Favored 'Trans proline' 0 C--N 1.34 0.079 0 C-N-CA 122.469 2.113 . . . . 0.0 112.162 -173.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -97.8 -3.77 38.24 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.597 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.8 t -128.72 -0.8 5.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.687 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -50.33 -58.87 4.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.555 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.3 m -60.65 -29.66 69.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.667 -176.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.1 -47.05 60.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.82 0.343 . . . . 0.0 110.197 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.53 -42.88 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.231 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.38 -52.97 63.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.554 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.5 -37.05 84.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.837 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.4 m -63.65 -55.12 25.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.68 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.461 ' HA ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -60.28 -44.76 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.886 178.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.06 -41.71 85.86 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.55 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.94 -42.77 76.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.781 0.324 . . . . 0.0 110.586 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 84.7 m -59.28 -39.64 83.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.413 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.899 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 6.4 mp -56.0 -44.29 78.48 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.655 0.264 . . . . 0.0 111.443 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.404 ' HG3' HG11 ' A' ' 108' ' ' VAL . 37.1 ttt-85 -60.84 -52.88 63.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.048 0.452 . . . . 0.0 110.788 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -63.15 -47.65 81.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.909 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.6 m -55.55 -37.85 68.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.536 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.2 mmt -63.26 -44.44 95.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.975 0.416 . . . . 0.0 110.699 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 17.2 ttm -68.99 -30.51 68.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.052 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -79.9 -26.13 40.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.968 0.413 . . . . 0.0 110.724 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.05 -60.85 1.97 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.271 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.7 p -103.19 -41.46 6.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.256 0.551 . . . . 0.0 111.078 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 115.22 -4.66 21.95 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -174.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.0 m -126.42 137.93 53.48 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.404 HG11 ' HG3' ' A' ' 98' ' ' ARG . 57.4 t -87.23 106.89 16.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.833 0.349 . . . . 0.0 110.268 179.068 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -76.58 124.34 27.47 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.937 173.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -90.81 -15.36 30.2 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.104 -177.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.06 -51.03 51.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.728 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -68.57 -48.59 63.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.218 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.752 ' HA ' HD23 ' A' ' 97' ' ' LEU . 17.8 m -55.94 -42.49 76.24 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.481 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -72.68 -37.14 67.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.71 0.29 . . . . 0.0 110.576 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.29 -46.84 87.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.644 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.534 HG21 HD21 ' A' ' 97' ' ' LEU . 57.3 t -61.88 -34.38 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.826 178.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 30.3 mmt -70.11 -45.19 67.44 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -178.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -63.54 -38.47 91.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.968 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 116' ' ' VAL . 32.4 mt -59.75 -50.15 74.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.991 178.139 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.1 p -73.74 -34.53 41.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.205 -175.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -71.6 -23.36 61.7 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.679 0.276 . . . . 0.0 110.569 177.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -80.13 -45.69 17.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.765 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 67.8 mt -69.9 -23.16 63.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.282 0.563 . . . . 0.0 110.964 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.884 176.445 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--O 1.236 0.35 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -75.71 67.64 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.272 0.558 . . . . 0.0 111.639 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 85.8 m -118.06 -43.02 2.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.568 172.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -103.87 122.71 43.56 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.248 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -61.59 -40.27 48.15 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.891 2.394 . . . . 0.0 111.934 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -63.2 -43.07 99.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.723 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.46 89.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.723 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.2 96.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.471 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.0 ttm -65.04 -30.07 71.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.769 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 38.9 m -63.68 -39.15 93.62 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' MET . . . . . 1.031 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -63.98 -47.0 82.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.546 176.334 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.422 ' O ' HG23 ' B' ' 23' ' ' VAL . 1.5 m -58.47 -43.75 89.04 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.038 178.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -69.28 -50.48 46.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.479 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -63.15 -31.99 73.27 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.795 0.331 . . . . 0.0 110.641 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.571 HD11 HD12 ' B' ' 97' ' ' LEU . 19.0 tp -60.16 -46.0 91.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.916 177.044 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 19' ' ' THR . 91.0 t -63.94 -41.51 92.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.743 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -62.01 -44.45 96.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.36 . . . . 0.0 110.784 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 33.7 t -66.12 -42.61 88.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.044 0.449 . . . . 0.0 110.552 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.72 -35.29 79.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.234 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 47.4 t -70.53 -17.58 62.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.318 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -111.09 13.53 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.717 0.294 . . . . 0.0 110.916 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.512 ' HB2' HG21 ' B' ' 92' ' ' THR . 91.1 p -73.42 -42.69 61.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.743 -174.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.12 12.59 83.87 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -171.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.539 ' HB ' HD12 ' B' ' 32' ' ' LEU . 4.9 t -111.23 -44.04 5.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.036 0.446 . . . . 0.0 110.274 -178.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.539 HD12 ' HB ' ' B' ' 31' ' ' VAL . 6.4 mp -88.36 151.19 22.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.085 -175.187 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 65.6 p -94.27 168.68 10.75 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.259 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.23 -27.72 69.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.098 0.475 . . . . 0.0 110.355 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -58.93 -59.25 5.76 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.745 175.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.511 ' HB3' ' HB ' ' B' ' 77' ' ' VAL . 37.6 mt-30 -63.18 -39.42 94.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.711 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 76.5 mmm -68.49 -35.54 77.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.968 -177.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -72.13 -28.79 63.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.977 0.418 . . . . 0.0 109.943 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.734 ' O ' ' HG2' ' B' ' 42' ' ' MET . 70.3 m-20 -67.57 -41.27 84.44 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.214 0.531 . . . . 0.0 110.552 171.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.569 ' O ' ' HB3' ' B' ' 43' ' ' MET . 85.4 mtp -71.61 -31.92 67.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.175 0.512 . . . . 0.0 110.732 177.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.19 -43.72 96.68 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.645 175.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.734 ' HG2' ' O ' ' B' ' 39' ' ' ASP . 16.8 ptt? -66.39 -28.18 68.44 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' MET . . . . . 0.569 ' HB3' ' O ' ' B' ' 40' ' ' MET . 54.6 ttp -57.42 -50.76 71.96 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.27 175.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.91 98.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.355 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -75.61 -31.71 60.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.933 -175.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.6 p -68.44 -41.04 80.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.691 0.281 . . . . 0.0 110.938 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 43' ' ' MET . 43.1 t -61.58 -41.33 89.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.469 0.652 . . . . 0.0 109.522 173.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -63.39 -48.76 76.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.268 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.541 ' HA ' ' HG2' ' B' ' 52' ' ' GLN . 11.1 p -67.42 -33.02 74.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.671 -176.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -62.65 -41.43 99.04 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 81.4 mmm -62.75 -45.75 91.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.648 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.541 ' HG2' ' HA ' ' B' ' 49' ' ' SER . 12.7 pt20 -72.46 -22.01 61.14 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.15 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -69.59 -42.97 73.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.498 172.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' MET . . . . . 0.459 ' SD ' ' HD2' ' B' ' 62' ' ' ARG . 69.5 mtm -79.21 -56.79 4.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.126 -178.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.56 -152.18 16.97 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.878 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.31 130.64 17.75 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.612 2.208 . . . . 0.0 112.256 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 63.78 88.68 0.11 Allowed Pre-proline 0 N--CA 1.466 0.355 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.805 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -87.44 162.28 8.17 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.87 2.38 . . . . 0.0 112.584 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.525 ' HG2' ' HB2' ' B' ' 62' ' ' ARG . 36.9 Cg_endo -66.66 148.39 83.06 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.823 2.349 . . . . 0.0 111.728 178.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -69.8 -34.83 74.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.982 0.42 . . . . 0.0 111.204 -174.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' HIS . . . . . 0.73 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 19.6 p80 -65.07 -19.89 66.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.999 0.428 . . . . 0.0 111.213 178.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.54 ' O ' ' HG2' ' B' ' 66' ' ' MET . 0.1 OUTLIER -63.9 -45.65 88.37 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 175.153 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.9 -41.46 95.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.96 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.73 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 30.5 ptt180 -59.22 -36.61 75.73 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.724 0.297 . . . . 0.0 110.631 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.605 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -82.14 -40.17 22.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.507 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.54 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 93.8 mmm -62.15 -32.84 73.49 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.579 0.228 . . . . 0.0 111.069 -179.152 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -53.0 -54.46 34.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.645 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.447 HG22 ' HB1' ' A' ' 72' ' ' ALA . 4.5 m -69.03 -34.69 75.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.213 -177.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -62.86 -56.51 16.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.941 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 21.7 ttt -54.96 -46.02 75.0 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.874 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.77 -42.86 94.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.507 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.485 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -66.7 -35.21 79.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.246 -178.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 45.6 mt-10 -62.99 -41.28 99.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.31 . . . . 0.0 110.673 178.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.479 ' O ' HG23 ' B' ' 78' ' ' VAL . 73.7 t -68.86 -44.83 81.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.598 176.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.74 -36.97 75.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.806 0.336 . . . . 0.0 110.836 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.764 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 31.0 tp10 -59.9 -49.58 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.333 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.511 ' HB ' ' HB3' ' B' ' 36' ' ' GLN . 34.0 m -72.55 -25.14 22.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -175.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 74' ' ' VAL . 64.3 t -79.64 -34.94 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.069 0.462 . . . . 0.0 110.252 177.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.64 -46.01 20.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.173 -176.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 30.6 m -83.95 77.2 9.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.738 0.78 . . . . 0.0 109.95 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.0 p -147.67 173.02 4.53 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.689 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.69 133.09 43.34 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.561 1.507 . . . . 0.0 110.503 172.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.37 -12.99 37.96 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.436 2.091 . . . . 0.0 111.734 -174.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -86.14 -13.96 45.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.512 178.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' SER . . . . . 0.426 ' O ' HG23 ' B' ' 89' ' ' VAL . 74.8 m -122.7 5.53 9.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.82 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -54.97 -59.39 4.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.161 0.505 . . . . 0.0 110.771 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 68.6 m -63.9 -25.43 68.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.119 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.88 -52.43 29.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.79 0.329 . . . . 0.0 110.229 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.499 HG22 HG12 ' B' ' 31' ' ' VAL . 59.0 t -61.79 -44.41 98.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.024 177.049 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.19 -52.25 66.09 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.875 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -61.74 -40.0 93.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.832 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.512 HG21 ' HB2' ' B' ' 29' ' ' SER . 60.8 m -64.34 -52.09 60.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.471 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -59.64 -47.61 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.783 178.493 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.61 -42.52 84.74 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.447 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.34 -44.99 74.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.645 0.26 . . . . 0.0 111.0 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 93.1 m -60.78 -36.35 78.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.181 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 1.031 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 3.5 mp -57.14 -50.55 72.45 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.031 0.443 . . . . 0.0 110.984 176.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 98' ' ' ARG . 40.3 ttt180 -56.56 -44.69 81.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.288 -177.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -76.01 -37.99 57.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.303 -176.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 59.5 m -59.52 -39.5 84.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.572 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 10.8 mmt -63.52 -43.91 95.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 39.9 ttm -67.89 -30.94 70.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.206 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -80.03 -21.21 43.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.879 0.371 . . . . 0.0 110.969 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.67 -49.31 6.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.261 -178.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 66.5 p -107.37 -53.43 2.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.141 0.496 . . . . 0.0 111.106 -178.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 137.0 -10.73 3.9 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.436 -176.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 48.7 m -137.83 176.61 8.55 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 59.4 t -98.71 112.85 31.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.862 0.363 . . . . 0.0 111.531 -176.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -77.94 115.08 17.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.554 173.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.89 -19.39 25.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.7 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.71 -50.86 65.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.881 0.372 . . . . 0.0 110.717 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -71.1 -47.11 60.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.351 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.616 ' HA ' HD23 ' B' ' 97' ' ' LEU . 18.8 m -57.38 -41.48 80.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.832 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -70.81 -38.77 73.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.356 . . . . 0.0 110.325 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -56.67 -45.62 81.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.594 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.489 HG21 HD21 ' B' ' 97' ' ' LEU . 60.4 t -62.61 -36.58 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 117' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' B' ' 113' ' ' THR . 26.5 mmt -66.03 -46.33 78.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.067 0.46 . . . . 0.0 109.799 -178.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -64.93 -40.13 94.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.561 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.51 -50.24 73.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.394 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 12.8 p -68.84 -32.97 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.284 -175.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 121' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' B' ' 117' ' ' MET . 28.5 mtpp -70.39 -39.46 74.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 110.718 178.154 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.406 ' HE3' ' HB3' ' B' ' 122' ' ' MET . 11.9 tmm? -70.62 -33.35 70.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.649 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.82 -10.54 59.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.654 0.74 . . . . 0.0 109.623 177.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 49.6 m -116.31 27.91 8.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.861 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.26 -172.275 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.3 pt . . . . . 0 CA--C 1.531 0.247 0 CA-C-O 121.057 0.456 . . . . 0.0 111.481 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.402 ' CZ2' ' HA ' ' A' ' 67' ' ' ASN . 47.4 m95 -85.93 31.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.366 -177.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.1 p -73.03 -39.12 66.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.387 0.613 . . . . 0.0 109.588 174.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -122.54 137.51 27.91 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.58 174.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.776 ' HG3' ' HG3' ' A' ' 58' ' ' PRO . 31.4 Cg_endo -65.69 -33.38 44.87 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.66 2.24 . . . . 0.0 112.401 -175.087 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -74.41 -34.42 63.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.576 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.59 -46.33 86.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.226 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.81 -39.33 80.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.781 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.2 ttm -61.0 -29.98 70.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.613 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.0 m -63.14 -40.66 98.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.198 176.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.974 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -63.76 -41.89 97.9 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.234 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -60.87 -44.46 97.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.859 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -68.66 -50.37 51.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.635 -178.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -58.55 -35.53 72.48 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.778 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.537 HD11 HD12 ' A' ' 97' ' ' LEU . 15.1 tp -58.24 -44.85 88.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.433 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.97 -43.3 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.995 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -62.43 -40.81 97.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.265 0.555 . . . . 0.0 110.311 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.569 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -68.51 -35.62 77.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.325 179.62 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.64 -34.62 74.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.255 0.55 . . . . 0.0 110.898 174.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.9 t -70.8 -36.04 72.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.071 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.569 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 16.0 ptm180 -85.08 -1.13 56.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.342 -178.522 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 p -99.23 -47.0 5.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.023 0.44 . . . . 0.0 109.828 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.78 16.96 71.56 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.143 173.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.484 HG21 ' OG1' ' A' ' 92' ' ' THR . 20.7 t -76.8 -28.0 17.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.397 0.617 . . . . 0.0 110.323 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.461 ' HB3' ' HB2' ' A' ' 36' ' ' GLN . 5.5 mp -90.8 155.99 18.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.078 -174.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.3 p -92.5 178.18 5.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.705 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 -41.83 92.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.077 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.598 ' HB3' HH22 ' B' ' 64' ' ' ARG . 6.3 m-20 -57.32 -51.81 67.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.056 0.455 . . . . 0.0 110.55 177.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.461 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 66.1 mt-30 -65.3 -42.66 92.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.188 -175.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 91.5 mmm -67.45 -37.07 82.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -71.57 -27.14 62.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.21 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.23 -48.87 63.99 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.197 173.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.0 mtp -64.28 -35.28 80.32 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.995 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.19 -42.96 99.73 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.552 175.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.9 tmm? -64.77 -36.41 84.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.607 0.241 . . . . 0.0 110.463 177.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.415 ' O ' HG23 ' A' ' 47' ' ' VAL . 49.8 ttp -55.82 -46.73 78.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.748 177.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.38 93.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.775 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.9 -37.87 87.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.412 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.4 t -56.2 -48.25 76.78 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.512 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 43' ' ' MET . 17.7 t -61.88 -37.81 79.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.097 0.475 . . . . 0.0 110.475 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -70.06 -32.76 71.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.568 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.467 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 67.1 m -59.21 -39.91 84.13 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -170.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.461 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 26.6 mt-30 -87.52 -17.22 32.57 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.749 -178.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 87.2 mmm -76.85 -35.48 57.46 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.092 172.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -78.79 -16.85 56.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.88 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 49' ' ' SER . 57.2 mttm -60.09 -37.09 78.91 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.761 0.791 . . . . 0.0 110.001 169.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.636 ' HE3' HH11 ' A' ' 62' ' ' ARG . 22.5 ptp -116.5 -165.27 1.04 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.153 -168.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -136.19 -95.88 0.46 Allowed Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.867 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -85.6 125.95 2.95 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 123.133 2.555 . . . . 0.0 113.576 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 67.66 97.5 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.431 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.294 172.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.776 ' HG3' ' HG3' ' A' ' 12' ' ' PRO . 93.4 Cg_endo -80.45 160.95 22.55 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.5 2.133 . . . . 0.0 112.426 176.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.449 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 21.8 Cg_endo -63.16 122.64 10.93 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.816 2.344 . . . . 0.0 111.505 174.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -64.34 -35.54 81.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.298 0.571 . . . . 0.0 110.577 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.651 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 21.3 p80 -65.49 -25.54 67.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.373 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.636 HH11 ' HE3' ' A' ' 54' ' ' MET . 26.5 ttp180 -70.19 -33.62 71.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.172 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.45 -46.32 80.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.533 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 18.8 ptt180 -62.84 -35.68 80.75 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.713 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.738 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -74.49 -43.24 56.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.592 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.432 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 80.3 mtp -76.61 -14.52 59.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.128 -177.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.402 ' HA ' ' CZ2' ' A' ' 9' ' ' TRP . 55.3 t-20 -53.98 -63.37 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.851 175.187 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.512 HG21 HD11 ' B' ' 123' ' ' LEU . 84.2 m -66.66 -25.42 66.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.139 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -62.06 -49.72 74.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.596 0.236 . . . . 0.0 110.744 177.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.2 ttt -58.61 -46.01 87.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.358 177.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.411 ' HB2' ' CE1' ' A' ' 112' ' ' PHE . . . -62.82 -43.59 98.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.475 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.548 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -62.86 -41.1 99.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.34 -178.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 77' ' ' VAL . 44.7 mt-10 -62.74 -42.44 99.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.222 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.35 -47.62 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.89 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.45 89.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.702 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.78 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 35.7 tp10 -58.25 -49.48 76.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.308 176.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 73' ' ' GLU . 94.3 t -55.04 -47.82 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.028 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.3 t -67.38 -41.59 86.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.295 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.65 -14.81 61.23 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.468 HG21 ' HD2' ' B' ' 64' ' ' ARG . 3.0 m -106.06 19.22 20.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.343 0.592 . . . . 0.0 110.695 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.6 p -84.87 169.17 17.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . 26.1 Cg_exo -63.07 139.09 71.14 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.821 1.68 . . . . 0.0 110.51 176.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 82' ' ' PRO . 21.6 Cg_exo -55.32 -32.04 79.51 Favored 'Trans proline' 0 CA--C 1.519 -0.266 0 C-N-CA 122.561 2.174 . . . . 0.0 111.793 -174.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -81.87 -4.8 57.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.561 -176.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.6 m -128.42 0.93 5.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.936 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -57.61 -47.28 82.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.851 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.2 t -63.17 -34.74 78.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.711 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.33 -51.3 31.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.727 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.86 -43.31 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.38 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.16 -51.51 69.05 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.085 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -57.53 -40.24 78.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.065 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.484 ' OG1' HG21 ' A' ' 31' ' ' VAL . 44.4 m -65.71 -50.85 63.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.351 -177.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.1 mm -64.94 -46.68 90.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.01 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.31 -43.25 89.65 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.545 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.4 -12.66 58.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.943 0.401 . . . . 0.0 111.088 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.498 ' SG ' HD12 ' A' ' 22' ' ' LEU . 50.7 t -84.5 -36.44 22.22 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.601 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.974 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 7.7 mp -59.54 -39.79 85.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.859 0.361 . . . . 0.0 111.092 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.418 ' HA ' HG23 ' A' ' 108' ' ' VAL . 51.2 ttt180 -57.99 -45.44 86.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.477 176.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -69.83 -50.17 45.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.057 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.1 m -54.39 -40.74 68.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.586 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.51 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 13.2 mmt -64.41 -43.25 94.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.921 0.391 . . . . 0.0 111.027 177.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 17.4 ttm -70.32 -26.22 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.422 -177.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -84.89 -31.74 23.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.925 0.393 . . . . 0.0 110.871 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.13 -60.21 2.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.378 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 73.1 p -103.31 -33.62 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.976 0.417 . . . . 0.0 111.316 -175.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 114.64 -10.85 21.38 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -176.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.1 m -132.47 149.12 52.39 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.51 ' HA ' ' HB3' ' A' ' 101' ' ' MET . 4.2 p -96.95 114.7 34.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.277 0.56 . . . . 0.0 110.948 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -78.3 134.56 37.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.965 173.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -97.1 -14.95 21.22 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.369 -177.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.3 -53.34 37.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.76 0.314 . . . . 0.0 110.46 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 71' ' ' ALA . 74.1 t80 -68.37 -47.93 66.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.263 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.582 ' HA ' HD23 ' A' ' 97' ' ' LEU . 17.9 m -56.42 -37.95 70.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.162 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 63.8 t30 -77.56 -34.06 53.87 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.426 178.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -56.98 -47.85 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.951 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.571 ' HA ' HD12 ' A' ' 119' ' ' LEU . 15.0 m -64.19 -30.54 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.715 0.293 . . . . 0.0 110.978 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.436 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 27.7 mmt -70.81 -40.97 72.19 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -178.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 25.0 mm-40 -68.02 -42.16 81.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.816 177.187 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 116' ' ' VAL . 19.2 mt -57.39 -51.65 68.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.336 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.82 -28.65 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.3 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -76.57 -13.94 60.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.064 0.459 . . . . 0.0 110.569 176.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 47.6 ttp -93.59 -44.61 8.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.417 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.49 -33.12 72.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.484 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.8 t . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.057 -175.613 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 pt . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.961 0.41 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -80.07 54.63 1.96 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.233 0.539 . . . . 0.0 111.638 -175.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.6 p -107.36 -17.83 14.03 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.493 0.663 . . . . 0.0 109.863 174.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.457 ' HA ' ' HD3' ' B' ' 12' ' ' PRO . 46.9 m-80 -135.93 132.07 19.22 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.99 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' PRO . . . . . 0.715 ' HG3' HH22 ' B' ' 62' ' ' ARG . 20.3 Cg_exo -61.12 -46.45 15.55 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.78 2.32 . . . . 0.0 112.409 -176.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -68.97 -40.15 79.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.707 -175.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -45.91 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.922 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.33 84.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' MET . . . . . 0.486 ' HE2' HG12 ' B' ' 47' ' ' VAL . 47.9 ttm -64.17 -25.98 68.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.784 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 46.1 m -65.42 -34.76 79.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.034 0.445 . . . . 0.0 110.197 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' MET . . . . . 1.003 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -65.77 -43.79 87.76 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 176.666 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -41.49 92.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.727 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -65.33 -51.74 58.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.529 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.21 -31.28 70.01 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.092 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.561 HD11 HD12 ' B' ' 97' ' ' LEU . 12.1 tp -63.94 -45.95 86.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.969 0.414 . . . . 0.0 110.54 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 66.1 t -64.7 -38.87 83.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.702 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -61.18 -41.31 96.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.796 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -50.21 74.9 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.944 0.402 . . . . 0.0 110.915 174.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.474 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -62.36 -38.99 91.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.344 -176.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 37.1 t -68.58 -40.6 80.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.032 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -76.25 -29.86 57.67 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.147 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 36.2 p -73.78 -51.91 14.87 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.884 0.373 . . . . 0.0 110.53 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.38 14.21 81.76 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.388 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.0 p -83.22 -12.49 12.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.517 0.675 . . . . 0.0 110.102 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.489 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.6 mp -97.18 152.21 19.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.492 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 42.9 p -86.18 175.59 8.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.216 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.54 83.56 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.808 0.337 . . . . 0.0 110.391 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.515 ' HB3' HH22 ' A' ' 64' ' ' ARG . 2.3 m-20 -51.44 -61.89 1.96 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.633 0.73 . . . . 0.0 110.222 172.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.489 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 68.5 mt-30 -62.42 -39.67 94.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.753 -172.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 77.7 mmm -65.64 -40.98 93.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.477 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -75.84 -30.37 58.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.443 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.3 -47.13 80.64 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.921 0.391 . . . . 0.0 110.388 174.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.438 ' O ' ' HB3' ' B' ' 43' ' ' MET . 89.4 mtp -67.96 -36.05 79.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 179.207 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.96 -43.17 97.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.353 175.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 9.5 tmm? -59.88 -42.89 94.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.742 0.306 . . . . 0.0 110.267 175.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' MET . . . . . 0.461 ' O ' HG23 ' B' ' 47' ' ' VAL . 47.8 ttp -50.69 -47.42 58.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.113 177.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.22 88.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.389 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -70.19 -34.1 72.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.044 0.449 . . . . 0.0 110.715 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -61.85 -48.79 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.223 175.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.486 HG12 ' HE2' ' B' ' 16' ' ' MET . 75.7 t -58.5 -36.4 59.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.584 178.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.478 ' O ' ' HG2' ' B' ' 51' ' ' MET . 9.1 m-80 -63.19 -40.91 98.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.533 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.413 ' HA ' ' HG2' ' B' ' 52' ' ' GLN . 72.2 m -59.97 -36.14 76.48 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.869 177.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -88.09 27.0 1.26 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.59 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' B' ' 48' ' ' ASN . 8.8 ptm -129.42 -32.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 167.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' B' ' 48' ' ' ASN . 11.5 pt20 -79.45 -24.97 42.07 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.005 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -68.48 -19.27 64.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.11 175.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' MET . . . . . 0.511 ' SD ' ' HD2' ' B' ' 59' ' ' PRO . 66.5 mtm -122.65 -176.7 3.45 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.864 -177.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.17 -129.91 3.36 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.129 -1.034 . . . . 0.0 113.323 -175.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -85.15 12.06 3.19 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 123.302 2.668 . . . . 0.0 113.531 -172.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -156.34 80.67 3.74 Favored Pre-proline 0 C--N 1.316 -0.848 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.044 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -90.2 154.45 4.67 Favored 'Trans proline' 0 N--CA 1.449 -1.096 0 C-N-CA 122.926 2.417 . . . . 0.0 112.627 174.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.511 ' HD2' ' SD ' ' B' ' 54' ' ' MET . 28.1 Cg_endo -63.1 138.26 66.28 Favored 'Trans proline' 0 C--O 1.238 0.507 0 C-N-CA 123.408 2.739 . . . . 0.0 112.933 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -76.21 -37.33 57.92 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.704 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' HIS . . . . . 0.846 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 25.2 p80 -60.73 -31.62 70.92 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 121.436 0.636 . . . . 0.0 109.819 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.715 HH22 ' HG3' ' B' ' 12' ' ' PRO . 2.5 ttp180 -59.95 -37.53 79.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.112 176.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.3 mt -68.58 -39.4 80.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.888 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.846 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 32.8 ptt180 -62.93 -33.71 75.92 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.179 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ALA . . . . . 0.78 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -80.33 -36.4 34.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.863 0.363 . . . . 0.0 111.231 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.514 ' HG3' ' O ' ' B' ' 62' ' ' ARG . 84.6 mtp -70.04 -22.86 63.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.677 178.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -52.53 -54.75 28.46 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.363 172.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.548 HG22 ' HB1' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -66.71 -34.61 78.22 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.886 -179.4 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -62.35 -53.96 47.34 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.438 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 21.6 ttt -59.81 -44.27 94.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.017 0.437 . . . . 0.0 110.512 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.77 -46.15 83.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.498 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.54 -38.43 89.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.406 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.549 ' O ' HG23 ' B' ' 77' ' ' VAL . 42.6 mt-10 -62.44 -46.62 87.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.6 179.017 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.41 ' O ' ' HB ' ' B' ' 77' ' ' VAL . 38.8 t -59.72 -45.42 94.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.831 0.348 . . . . 0.0 110.993 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.38 99.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.591 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.738 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 13.0 tp10 -59.58 -39.71 85.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.887 175.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.549 HG23 ' O ' ' B' ' 73' ' ' GLU . 42.9 t -60.09 -48.41 88.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.875 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.525 HG11 HD12 ' B' ' 90' ' ' LEU . 22.5 t -71.94 -33.92 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 -177.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.38 5.89 16.12 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' THR . . . . . 0.417 ' O ' HG22 ' B' ' 80' ' ' THR . 14.9 m -113.44 15.66 19.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.848 0.832 . . . . 0.0 109.779 176.305 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 87.8 p -92.5 158.53 38.39 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.735 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.23 150.7 87.86 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.23 1.953 . . . . 0.0 111.078 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -55.48 -35.94 93.24 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.615 2.21 . . . . 0.0 111.481 -176.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -74.98 -11.78 60.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.032 -0.986 . . . . 0.0 111.996 -177.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 14.6 m -117.79 -9.89 10.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.7 0.286 . . . . 0.0 110.923 -177.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -54.13 -50.18 67.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.617 -175.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 35.4 t -61.69 -44.35 97.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.817 0.342 . . . . 0.0 110.9 -177.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.66 75.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.166 -178.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 73.9 t -64.72 -45.25 95.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.633 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.755 HD11 HG11 ' B' ' 120' ' ' VAL . 13.5 tp -58.3 -49.81 75.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.687 -178.059 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -60.3 -38.77 84.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.027 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 55.6 m -66.73 -50.75 61.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.776 -177.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.1 mm -62.07 -49.11 85.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.753 178.117 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.24 -42.51 88.46 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.695 -177.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.44 -38.68 68.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.838 0.351 . . . . 0.0 111.04 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 22.8 m -70.03 -27.89 65.04 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 1.003 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 4.7 mp -59.36 -37.13 77.1 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.464 176.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 98' ' ' ARG . . . . . 0.493 ' HA ' HG23 ' B' ' 108' ' ' VAL . 73.1 ttt-85 -63.89 -48.39 76.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.176 176.041 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -67.35 -49.66 63.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.196 -177.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 66.8 m -54.07 -42.81 69.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.247 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.507 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 13.7 mmt -62.77 -45.98 90.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.037 0.446 . . . . 0.0 110.77 177.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 31.6 ttm -70.33 -23.6 62.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.472 -176.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -91.1 -8.93 47.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.939 0.4 . . . . 0.0 110.85 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.37 -55.9 2.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.339 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 70.0 p -105.5 -8.75 17.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.125 0.488 . . . . 0.0 110.892 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.17 5.03 86.09 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.577 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 12.5 p -149.11 144.27 26.54 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.507 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 2.5 p -89.81 114.11 27.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.053 0.454 . . . . 0.0 110.997 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.89 133.08 43.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.765 172.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -92.59 -22.22 19.62 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.798 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.81 -50.29 67.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.698 0.285 . . . . 0.0 110.764 -177.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -71.71 -46.53 58.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.531 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.584 ' HA ' HD23 ' B' ' 97' ' ' LEU . 13.8 m -59.39 -39.39 83.23 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.823 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -72.27 -39.33 68.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.763 0.316 . . . . 0.0 110.477 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.426 ' OE1' ' HA ' ' B' ' 68' ' ' THR . 34.0 tt0 -54.05 -51.37 64.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.407 -175.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.511 ' HA ' HD12 ' B' ' 119' ' ' LEU . 17.6 m -64.67 -31.33 53.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 111.48 0.178 . . . . 0.0 111.48 -176.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 117' ' ' MET . . . . . 0.596 ' HA ' ' HE2' ' B' ' 117' ' ' MET . 28.2 mmt -71.43 -29.24 64.66 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.935 0.398 . . . . 0.0 110.287 -177.246 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -83.15 -41.07 18.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.838 175.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' B' ' 116' ' ' VAL . 22.5 mt -55.23 -53.9 50.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.345 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 120' ' ' VAL . . . . . 0.755 HG11 HD11 ' B' ' 90' ' ' LEU . 12.3 p -63.74 -40.71 90.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.831 -172.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.99 -33.84 70.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.846 0.355 . . . . 0.0 110.608 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 40.5 ttp -66.02 -37.59 86.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.016 175.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.512 HD11 HG21 ' A' ' 68' ' ' THR . 88.0 mt -82.45 3.16 29.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.763 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 46.3 m -120.94 15.35 11.65 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.171 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 121.405 0.621 . . . . 0.0 111.542 -174.805 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.977 ' HB ' HG21 ' A' ' 105' ' ' THR . 2.6 pp . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.923 0.392 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.476 ' CZ2' ' HA ' ' A' ' 67' ' ' ASN . 76.1 m95 -81.32 26.21 0.46 Allowed 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.54 -178.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -82.18 -8.99 59.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.427 0.632 . . . . 0.0 109.757 175.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -134.27 119.6 14.45 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.867 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -68.91 -35.09 16.13 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.863 2.375 . . . . 0.0 112.883 -173.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -79.57 -31.92 41.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.99 0.424 . . . . 0.0 110.375 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.8 81.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.108 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.38 90.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.593 177.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.407 ' HE2' ' HB2' ' A' ' 16' ' ' MET . 50.1 ttm -61.16 -32.1 71.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.661 177.261 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.7 m -64.82 -35.93 82.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.348 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.5 ' HE1' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -66.01 -42.03 90.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 177.611 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.24 -42.8 99.64 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.499 177.23 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -65.82 -44.01 86.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.286 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -63.59 -36.09 82.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.378 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.646 HD21 HD12 ' A' ' 97' ' ' LEU . 32.6 mt -59.92 -44.56 94.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.726 0.298 . . . . 0.0 111.036 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.5 t -65.55 -36.6 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.96 0.41 . . . . 0.0 110.498 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.421 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 43.1 mt-30 -65.21 -52.62 53.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.762 177.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.535 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 31.6 p -66.92 -34.31 77.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.637 0.256 . . . . 0.0 111.081 -176.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.83 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.916 0.388 . . . . 0.0 111.141 177.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.8 t -69.09 -26.0 64.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.18 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.535 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 13.0 ptm85 -96.85 -2.31 44.27 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.613 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.5 p -97.48 -45.81 6.29 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.45 28.69 65.22 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.745 -0.662 . . . . 0.0 112.987 174.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.7 t -87.14 -26.71 5.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.742 0.782 . . . . 0.0 109.323 175.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HG ' HG13 ' A' ' 89' ' ' VAL . 5.3 mp -86.62 156.48 20.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.268 -177.081 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.9 p -91.11 174.46 7.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.646 -178.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.65 91.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.703 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.79 -50.26 72.86 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.401 0.62 . . . . 0.0 109.819 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.446 ' CB ' HG13 ' A' ' 77' ' ' VAL . 50.1 mt-30 -63.79 -44.29 93.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.611 -177.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 82.1 mmm -64.07 -41.66 97.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.589 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.514 ' OD2' ' HD3' ' B' ' 62' ' ' ARG . 35.5 t70 -68.32 -34.4 76.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 110.763 -178.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -64.26 -48.5 75.51 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.025 0.44 . . . . 0.0 110.231 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.52 ' HG3' HG21 ' A' ' 77' ' ' VAL . 89.1 mtp -65.44 -29.77 70.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.667 177.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.06 -48.57 85.41 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.99 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -73.35 -20.13 60.84 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.114 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.444 ' SD ' HG23 ' A' ' 74' ' ' VAL . 47.1 ttp -61.85 -50.72 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.952 0.406 . . . . 0.0 110.132 175.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.51 94.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.425 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.9 -32.15 72.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.504 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.7 t -60.84 -47.47 86.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.453 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 43' ' ' MET . 14.7 t -61.97 -36.06 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.983 0.42 . . . . 0.0 110.192 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.689 ' O ' ' HG3' ' A' ' 51' ' ' MET . 24.6 m-80 -75.64 -41.27 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.08 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 11.4 p -70.32 -49.5 48.8 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.963 -0.46 . . . . 0.0 111.193 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -63.35 -32.25 73.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.306 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.689 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 4.4 ppp? -67.86 -36.63 80.63 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.179 179.224 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.626 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 44.3 mt-30 -75.04 -23.68 58.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 110.506 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 49' ' ' SER . 13.5 mmmm -68.65 -24.54 64.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.793 174.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 66.1 mtm -108.12 -41.65 4.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.61 -173.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.96 172.8 12.87 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.27 -19.71 56.05 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.486 2.124 . . . . 0.0 112.435 -178.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -132.96 75.42 72.28 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.814 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.82 158.45 46.75 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.733 2.288 . . . . 0.0 112.942 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.742 ' HG2' ' HG2' ' A' ' 62' ' ' ARG . 19.9 Cg_endo -63.9 153.32 76.44 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.848 2.365 . . . . 0.0 111.97 176.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -55.0 -44.57 74.62 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -172.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.464 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 12.9 p80 -66.8 -18.37 65.34 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.871 -173.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.742 ' HG2' ' HG2' ' A' ' 59' ' ' PRO . 34.9 mmt180 -65.98 -47.15 75.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.4 mt -65.76 -31.7 72.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.989 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.73 HH11 ' HG2' ' A' ' 64' ' ' ARG . 26.7 ttp85 -54.08 -52.07 62.12 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.956 175.328 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.674 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -76.87 -32.43 57.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.631 -178.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 85.3 mmm -60.64 -32.31 71.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.663 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.476 ' HA ' ' CZ2' ' A' ' 9' ' ' TRP . 19.0 t-20 -52.49 -55.32 22.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.095 0.474 . . . . 0.0 110.744 176.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.468 HG22 ' HB1' ' B' ' 72' ' ' ALA . 26.4 m -76.1 -28.42 57.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.013 -176.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.557 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.22 -55.43 32.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.825 0.345 . . . . 0.0 110.626 177.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.8 ttt -60.6 -43.03 97.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.609 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.95 95.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.298 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.453 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -65.04 -40.06 94.26 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.278 -178.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 42.6 mt-10 -60.88 -48.15 83.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.98 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.444 HG23 ' SD ' ' A' ' 43' ' ' MET . 53.5 t -61.27 -43.57 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.968 0.413 . . . . 0.0 110.792 177.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.82 -42.41 97.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.501 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.42 -39.63 93.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.005 0.431 . . . . 0.0 110.008 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.52 HG21 ' HG3' ' A' ' 40' ' ' MET . 28.9 t -56.23 -55.19 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.91 176.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.442 ' HB ' HG21 ' A' ' 120' ' ' VAL . 52.5 t -67.27 -38.56 81.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.61 -177.019 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.81 -26.74 65.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -176.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.4 m -98.08 28.54 3.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.846 0.832 . . . . 0.0 110.964 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 87.4 p -97.2 161.38 26.35 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 170.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.16 135.51 70.34 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 121.633 1.556 . . . . 0.0 110.478 174.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -62.65 -13.53 34.45 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.629 2.22 . . . . 0.0 112.229 -172.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -84.25 -18.23 37.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.856 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 t -119.34 -1.1 10.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.072 0.463 . . . . 0.0 110.254 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -51.93 -56.34 14.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.29 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m -60.54 -27.38 67.6 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.834 -176.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.23 -48.91 25.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.981 0.42 . . . . 0.0 110.459 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.495 HG13 ' HG ' ' A' ' 32' ' ' LEU . 60.7 t -64.16 -42.42 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.055 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 tt -56.02 -52.38 64.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.472 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -58.73 -42.1 87.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.3 m -61.41 -46.25 90.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.612 -177.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.2 mm -68.91 -45.12 81.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.779 177.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.53 -41.89 98.9 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.522 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.03 -39.99 83.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.806 0.336 . . . . 0.0 110.54 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.431 ' SG ' HD23 ' A' ' 22' ' ' LEU . 49.2 t -68.69 -36.58 78.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.122 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.646 HD12 HD21 ' A' ' 22' ' ' LEU . 1.1 mp -50.54 -56.75 10.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.679 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -60.09 -48.08 83.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.095 -175.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.06 -43.14 83.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.019 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.6 m -54.52 -39.58 67.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.336 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.698 ' HG3' ' HB3' ' A' ' 109' ' ' ASP . 20.6 mmt -66.65 -40.54 88.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.76 0.314 . . . . 0.0 110.744 177.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.0 tpp -61.35 -32.66 72.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.918 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -84.98 -39.73 17.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.559 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.33 -55.63 11.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.865 -176.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.977 HG21 ' HB ' ' A' ' 8' ' ' ILE . 76.4 p -103.25 -34.07 8.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.978 0.418 . . . . 0.0 111.287 -175.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.1 -2.22 31.43 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.551 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.0 m -133.3 157.65 44.93 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.6 t -85.64 108.32 17.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.312 0.577 . . . . 0.0 110.4 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.698 ' HB3' ' HG3' ' A' ' 101' ' ' MET . 0.1 OUTLIER -67.24 137.95 56.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.025 171.694 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -126.94 19.05 7.15 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -103.41 -54.45 2.59 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 116' ' ' VAL . 65.6 t80 -70.8 -46.87 62.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.943 178.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.591 ' HA ' HD23 ' A' ' 97' ' ' LEU . 30.8 m -60.76 -39.85 90.3 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.186 0.517 . . . . 0.0 110.467 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -66.07 -44.43 84.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.368 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.07 -47.43 85.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.733 -176.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 112' ' ' PHE . 71.5 t -57.38 -41.61 78.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.959 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 30.3 mmt -63.95 -43.35 96.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.057 -177.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -72.72 -37.97 67.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.795 0.331 . . . . 0.0 110.575 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 24.0 mt -58.06 -52.82 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.133 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.442 HG21 ' HB ' ' A' ' 78' ' ' VAL . 10.8 p -67.51 -31.9 54.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.357 -175.01 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -70.07 -42.98 72.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.447 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -66.18 -43.16 87.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.951 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 88.8 mt -71.19 -16.37 62.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.726 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 120.99 0.424 . . . . 0.0 110.492 -179.563 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.432 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.5 pp . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.98 0.419 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 53.1 m95 -75.67 12.93 0.9 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.901 -178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.2 m -74.26 -19.75 60.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.721 0.772 . . . . 0.0 108.945 170.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -122.17 115.64 30.17 Favored Pre-proline 0 N--CA 1.452 -0.33 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.464 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' PRO . . . . . 0.476 ' HG3' ' HD2' ' B' ' 58' ' ' PRO . 37.8 Cg_endo -71.55 -30.27 15.2 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.935 2.423 . . . . 0.0 112.52 -176.105 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -70.16 -40.76 74.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.056 0.455 . . . . 0.0 109.855 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.493 ' HB1' HG22 ' B' ' 105' ' ' THR . . . -63.17 -47.28 83.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.523 178.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.49 98.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.848 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 46.5 ttm -61.54 -35.83 78.84 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.983 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 35.3 m -62.68 -38.96 92.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.157 0.504 . . . . 0.0 109.847 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' MET . . . . . 1.044 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -64.15 -40.27 95.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.845 178.618 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -60.63 -42.77 97.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.049 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -71.39 -38.48 71.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.097 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.41 -38.84 91.22 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.131 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.411 HD23 ' SG ' ' B' ' 96' ' ' CYS . 48.6 mt -59.81 -40.02 86.97 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.986 0.422 . . . . 0.0 111.475 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 97.0 t -67.39 -37.87 79.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.998 0.428 . . . . 0.0 110.475 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -63.48 -50.88 67.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.269 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' CYS . . . . . 0.52 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 29.8 p -66.76 -36.57 82.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.718 0.294 . . . . 0.0 110.895 -177.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.28 -44.12 92.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.888 0.375 . . . . 0.0 111.271 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 34.0 t -65.72 -40.66 92.44 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.52 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 4.2 ptm180 -78.3 -21.96 48.9 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.502 -177.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.9 p -78.01 -41.67 35.09 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.26 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.29 19.5 78.27 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.708 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.442 HG12 HG22 ' B' ' 89' ' ' VAL . 19.3 t -81.67 -40.55 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.319 0.58 . . . . 0.0 110.091 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.422 ' N ' HD12 ' B' ' 32' ' ' LEU . 5.5 mp -78.54 158.06 28.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.817 -176.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 28.0 p -92.72 175.49 6.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.972 -177.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.82 96.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.827 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.74 -42.61 84.26 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.484 177.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -69.93 -47.14 63.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.629 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 84.4 mmm -62.55 -40.23 96.15 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 111.173 -179.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -68.79 -31.29 70.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.596 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.615 ' O ' ' HG2' ' B' ' 42' ' ' MET . 0.9 OUTLIER -66.63 -49.74 65.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.012 176.868 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.549 ' HG3' HG21 ' B' ' 77' ' ' VAL . 91.1 mtp -64.25 -28.47 69.75 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.173 0.511 . . . . 0.0 110.734 177.211 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.05 -43.14 97.74 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.239 177.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.615 ' HG2' ' O ' ' B' ' 39' ' ' ASP . 18.8 ptt? -71.41 -25.71 62.45 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' MET . . . . . 0.483 ' HB3' ' O ' ' B' ' 40' ' ' MET . 49.4 ttp -57.87 -48.96 78.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.046 0.45 . . . . 0.0 110.302 175.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.04 95.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.772 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.53 -37.97 89.36 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.988 0.423 . . . . 0.0 110.609 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 43.2 t -56.77 -50.45 72.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.76 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 43' ' ' MET . 11.2 t -63.07 -38.61 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.7 -178.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ASN . . . . . 0.584 ' O ' ' HG3' ' B' ' 51' ' ' MET . 30.5 m-80 -73.3 -33.37 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.422 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 31.1 p -78.11 -45.92 22.12 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.783 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.417 ' HA ' ' HB2' ' B' ' 53' ' ' LYS . 17.7 mt-30 -72.13 -19.56 61.76 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.392 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' MET . . . . . 0.584 ' HG3' ' O ' ' B' ' 48' ' ' ASN . 3.1 ppp? -69.13 -34.66 75.39 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -76.24 -27.68 56.85 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.455 0.645 . . . . 0.0 109.639 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' B' ' 50' ' ' GLN . 38.4 mmtm -71.01 -11.05 60.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.201 174.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 75.7 mtm -115.07 -63.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.593 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.63 -177.04 25.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.177 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.12 -21.83 35.91 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.779 2.32 . . . . 0.0 112.501 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -130.78 72.67 81.75 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.247 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.476 ' HD2' ' HG3' ' B' ' 12' ' ' PRO . 36.0 Cg_exo -62.14 153.94 66.05 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.97 2.447 . . . . 0.0 113.386 -178.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.896 ' HG2' ' HG3' ' B' ' 62' ' ' ARG . 36.1 Cg_endo -67.01 126.79 15.74 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.935 2.423 . . . . 0.0 110.767 175.105 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLN . . . . . 0.477 ' HG2' HD12 ' B' ' 63' ' ' LEU . 70.4 mt-30 -69.68 -17.57 63.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -171.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' HIS . . . . . 0.811 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 32.0 p80 -70.14 -34.07 72.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.749 173.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.896 ' HG3' ' HG2' ' B' ' 59' ' ' PRO . 6.3 mmm-85 -72.31 -28.38 63.05 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 174.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.477 HD12 ' HG2' ' B' ' 60' ' ' GLN . 94.2 mt -71.26 -33.75 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.848 176.038 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.811 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 19.9 ptt180 -65.92 -35.74 81.46 Favored 'General case' 0 C--O 1.227 -0.113 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 177.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.11 -35.58 66.59 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.759 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.435 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 91.4 mmm -66.98 -31.51 72.12 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 176.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -55.04 -55.74 27.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.404 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.453 HG22 ' HB1' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -61.6 -37.28 83.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.973 179.437 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.497 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -59.97 -58.4 8.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.184 179.225 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 21.8 ttt -57.91 -46.34 85.11 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.929 0.395 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.96 97.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.226 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.468 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -68.41 -33.45 74.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.386 -178.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 45.0 mt-10 -64.73 -49.0 72.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.517 0.199 . . . . 0.0 110.7 178.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.473 HG23 ' SD ' ' B' ' 43' ' ' MET . 47.7 t -59.02 -46.28 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.061 0.457 . . . . 0.0 110.586 175.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.23 98.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.911 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.674 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 18.1 tp10 -57.66 -49.27 77.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.89 176.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.549 HG21 ' HG3' ' B' ' 40' ' ' MET . 57.7 t -53.73 -55.4 13.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.813 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.461 ' HB ' HG21 ' B' ' 120' ' ' VAL . 54.7 t -63.87 -39.16 84.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.454 -177.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.78 -11.43 60.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -176.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 18.8 m -92.76 -11.63 33.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.009 0.433 . . . . 0.0 110.753 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 93.9 p -66.65 147.01 99.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.37 146.68 24.0 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.626 2.217 . . . . 0.0 111.829 177.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.96 -7.27 12.91 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.677 2.251 . . . . 0.0 112.42 -175.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -91.61 -15.63 28.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.908 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 10.8 p -125.45 0.87 7.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.603 -175.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -54.95 -47.46 74.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.342 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 2.0 p -64.67 -41.26 96.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.474 -177.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.2 86.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.871 0.367 . . . . 0.0 111.216 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' VAL . . . . . 0.442 HG22 HG12 ' B' ' 31' ' ' VAL . 61.4 t -66.3 -45.49 89.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.331 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 tt -59.01 -45.2 91.26 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.832 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -59.25 -45.26 91.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.089 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.1 m -62.48 -51.93 65.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.77 -176.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.3 mm -62.97 -47.56 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.872 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.7 -45.27 90.94 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.861 -177.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.06 -31.37 67.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.886 0.374 . . . . 0.0 110.789 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' CYS . . . . . 0.411 ' SG ' HD23 ' B' ' 22' ' ' LEU . 53.4 t -72.04 -35.17 69.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.918 -179.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 1.044 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 4.2 mp -56.41 -40.99 75.6 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.709 0.29 . . . . 0.0 111.429 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -62.93 -47.22 84.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.164 0.506 . . . . 0.0 109.982 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -67.54 -49.56 62.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.255 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 68.8 m -52.27 -36.56 53.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.14 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.42 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 14.6 mmt -69.62 -41.62 75.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.712 0.292 . . . . 0.0 110.907 178.111 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 49.4 tpp -64.52 -36.36 83.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.072 0.463 . . . . 0.0 110.55 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -80.38 -18.04 50.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.127 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.82 -59.58 2.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.351 -177.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 105' ' ' THR . . . . . 0.493 HG22 ' HB1' ' B' ' 14' ' ' ALA . 68.0 p -100.83 -43.27 6.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.015 0.436 . . . . 0.0 111.29 -175.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 117.34 -6.98 16.49 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -173.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.6 m -134.43 134.51 41.68 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' VAL . . . . . 0.42 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 87.0 t -77.44 107.42 8.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.036 0.446 . . . . 0.0 111.116 -177.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -66.13 107.77 2.04 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.55 174.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -80.55 -26.89 37.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.752 -178.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.29 -45.9 85.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.632 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 112' ' ' PHE . . . . . 0.481 ' O ' HG23 ' B' ' 116' ' ' VAL . 84.5 t80 -69.42 -50.81 42.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.198 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 113' ' ' THR . . . . . 0.669 ' HA ' HD23 ' B' ' 97' ' ' LEU . 16.7 m -55.54 -43.43 75.78 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.421 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 114' ' ' ASN . . . . . 0.449 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 45.7 t30 -64.71 -47.04 79.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.741 178.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.07 -43.46 98.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 -175.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 116' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 112' ' ' PHE . 87.6 t -60.24 -39.62 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.891 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 28.9 mmt -66.5 -40.65 89.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.113 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 118' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 19.4 mt-30 -64.17 -45.34 88.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.293 177.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 119' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' B' ' 123' ' ' LEU . 33.3 mt -57.35 -53.1 61.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.367 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 120' ' ' VAL . . . . . 0.461 HG21 ' HB ' ' B' ' 78' ' ' VAL . 14.8 p -66.39 -33.2 61.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.841 0.353 . . . . 0.0 111.817 -174.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -76.52 -36.53 57.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.679 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 122' ' ' MET . . . . . 0.401 ' HE3' ' HB3' ' B' ' 122' ' ' MET . 11.8 tmm? -68.44 -39.24 81.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.868 0.366 . . . . 0.0 111.042 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 119' ' ' LEU . 95.1 mt -69.22 -8.98 50.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 6.2 t -128.5 21.75 6.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.505 0.669 . . . . 0.0 109.366 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.829 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.916 -174.194 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.909 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -67.35 103.86 1.38 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.722 0.296 . . . . 0.0 110.423 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.07 -148.19 50.31 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.291 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -97.24 173.54 7.17 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 m -141.26 122.23 14.56 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.036 0.446 . . . . 0.0 110.833 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -81.28 117.63 68.97 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.426 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.441 ' HA ' ' OD2' ' A' ' 109' ' ' ASP . 51.4 Cg_exo -53.98 122.34 11.23 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.78 2.32 . . . . 0.0 111.873 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.685 ' HB ' HG21 ' A' ' 105' ' ' THR . 2.8 pp -73.37 3.39 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.093 -176.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.402 ' CZ2' ' HA ' ' A' ' 67' ' ' ASN . 42.5 m95 -77.38 18.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.543 178.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.3 p -70.9 -23.01 62.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.348 0.594 . . . . 0.0 109.725 172.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -125.78 115.87 24.54 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.37 172.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -65.8 -30.46 49.69 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.863 2.375 . . . . 0.0 112.373 -175.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -76.92 -33.4 57.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.753 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.88 -42.52 90.21 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 176.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.41 90.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.735 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.6 ttm -61.63 -27.66 68.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.201 0.524 . . . . 0.0 110.713 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 48.6 m -64.08 -36.39 83.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.197 177.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.6 ttt -66.57 -41.02 89.21 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -41.24 85.82 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.253 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -69.21 -46.68 66.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.888 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -63.35 -35.51 80.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.421 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.637 HD21 HD12 ' A' ' 97' ' ' LEU . 29.8 mt -60.03 -48.61 81.0 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.603 0.24 . . . . 0.0 110.864 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.23 -41.7 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.681 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -64.48 -44.46 90.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.937 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 27.6 t -65.37 -38.95 91.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.01 0.433 . . . . 0.0 110.579 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -69.12 -38.77 79.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.057 0.456 . . . . 0.0 110.783 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.1 t -68.46 -37.6 80.33 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.912 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 25' ' ' CYS . 7.5 ptm180 -80.06 -19.53 47.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.933 -177.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.423 ' HB2' HG23 ' A' ' 31' ' ' VAL . 14.1 p -84.69 -46.28 11.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.966 0.413 . . . . 0.0 109.923 174.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.33 21.63 72.53 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.715 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.423 HG23 ' HB2' ' A' ' 29' ' ' SER . 14.1 t -79.74 -26.94 12.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.337 0.589 . . . . 0.0 110.179 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.425 HD13 ' HB1' ' A' ' 26' ' ' ALA . 5.7 mp -90.64 152.68 20.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.794 -175.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.4 ' OG1' ' HG3' ' A' ' 36' ' ' GLN . 48.2 p -83.17 169.69 15.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.519 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.72 78.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.718 0.294 . . . . 0.0 111.042 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 1.051 ' HB3' HH22 ' B' ' 64' ' ' ARG . 2.9 m-20 -52.79 -60.72 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.716 175.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.791 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . 8.1 mt-30 -66.61 -36.91 83.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.962 -173.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.5 mmm -63.79 -45.2 90.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.296 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -71.34 -33.18 69.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.805 -176.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 42' ' ' MET . 69.0 m-20 -66.08 -40.78 91.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.959 0.409 . . . . 0.0 110.385 176.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.524 ' O ' ' HB3' ' A' ' 43' ' ' MET . 83.3 mtp -66.59 -34.88 78.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.075 0.464 . . . . 0.0 110.339 174.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.94 -44.85 97.25 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.058 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.527 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -74.99 -18.07 60.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.882 0.372 . . . . 0.0 110.241 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.524 ' HB3' ' O ' ' A' ' 40' ' ' MET . 43.1 ttp -63.41 -43.82 96.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.121 0.486 . . . . 0.0 109.729 172.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.48 97.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.3 175.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.78 -44.23 93.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.027 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.0 p -59.81 -48.77 80.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.041 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.8 t -61.28 -43.77 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.166 0.507 . . . . 0.0 110.174 176.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 23.0 t-20 -57.0 -51.3 69.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.456 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.6 p -77.51 -31.63 53.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.513 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.637 HE22 ' HB3' ' B' ' 46' ' ' SER . 3.9 tp-100 -62.85 -41.14 99.24 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 176.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.4 ttp -59.14 -45.46 90.89 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.553 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 69.6 mt-30 -59.53 -37.59 78.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.088 0.471 . . . . 0.0 110.744 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -68.39 -24.71 64.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.711 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.556 ' CB ' ' HB3' ' A' ' 58' ' ' PRO . 70.9 mtm -105.33 -6.9 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.447 -175.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.62 178.66 35.22 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.561 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.41 -11.17 29.55 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.789 2.326 . . . . 0.0 112.433 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -146.01 78.23 11.6 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.999 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.556 ' HB3' ' CB ' ' A' ' 54' ' ' MET . 35.6 Cg_endo -64.72 167.14 16.07 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.192 2.594 . . . . 0.0 113.356 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HG2' ' HD2' ' A' ' 62' ' ' ARG . 52.4 Cg_exo -51.64 131.56 37.83 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.991 2.461 . . . . 0.0 112.087 175.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -59.21 -39.49 82.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.351 -176.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.601 ' HB2' ' NH2' ' A' ' 64' ' ' ARG . 20.9 p80 -68.3 -26.6 65.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 0.0 111.005 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 66' ' ' MET . 77.1 mtt180 -73.09 -36.14 66.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.246 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.416 HD21 ' HG2' ' A' ' 58' ' ' PRO . 98.8 mt -63.33 -37.49 87.46 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 174.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.918 HH22 ' HB3' ' B' ' 35' ' ' ASP . 44.6 ttp180 -55.14 -47.39 75.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.754 174.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.62 72.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.173 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 95.9 mmm -57.02 -30.19 63.99 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.76 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.402 ' HA ' ' CZ2' ' A' ' 9' ' ' TRP . 18.6 t-20 -51.61 -51.99 51.16 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.073 0.463 . . . . 0.0 111.03 176.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.9 m -75.69 -29.42 59.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.935 -175.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.582 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -61.51 -52.49 64.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.931 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.0 ttt -57.77 -44.69 86.35 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.981 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.26 92.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.185 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.418 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -64.6 -40.36 95.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.361 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 6.9 mm-40 -62.12 -45.26 94.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.74 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.563 ' O ' HG23 ' A' ' 78' ' ' VAL . 54.5 t -63.87 -42.19 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.696 177.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.24 88.86 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.451 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.465 ' OE1' ' HA ' ' B' ' 65' ' ' ALA . 23.0 tt0 -64.22 -50.11 69.29 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.909 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.791 ' HB ' ' HB3' ' A' ' 36' ' ' GLN . 35.7 m -60.21 -38.72 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.867 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 74' ' ' VAL . 67.9 t -63.81 -40.54 89.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.099 0.476 . . . . 0.0 110.261 177.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HB1' ' HB2' ' A' ' 124' ' ' SER . . . -78.89 -3.57 45.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.735 -176.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 80' ' ' THR . 24.2 m -102.19 5.61 40.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.705 0.764 . . . . 0.0 110.201 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.1 m -77.62 159.2 77.4 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.028 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -53.57 160.26 5.51 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.813 2.342 . . . . 0.0 111.339 173.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.58 -22.57 58.19 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.159 1.906 . . . . 0.0 112.17 -170.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -96.58 -23.56 16.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.272 0.558 . . . . 0.0 110.737 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.7 m -92.34 -16.99 25.3 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.884 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -54.57 -49.63 69.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.982 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.7 t -64.18 -34.59 78.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.549 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.83 -53.92 27.72 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.018 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.432 HG12 HG22 ' A' ' 78' ' ' VAL . 85.9 t -63.0 -40.72 90.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.767 -178.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -56.93 -52.16 66.28 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.413 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.84 -38.58 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.933 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 38.1 m -65.65 -51.79 56.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.616 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.501 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.1 mm -61.27 -43.31 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.1 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.4 -38.4 93.39 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.241 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.518 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -68.44 -49.2 61.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.725 0.298 . . . . 0.0 110.368 176.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 75.9 m -61.74 -32.63 72.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.495 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.637 HD12 HD21 ' A' ' 22' ' ' LEU . 1.1 mp -54.21 -54.31 41.71 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.938 0.399 . . . . 0.0 111.106 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.3 ttt-85 -59.11 -51.46 69.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.003 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 9.8 mm-40 -60.2 -44.66 94.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.783 -177.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.5 m -55.54 -46.38 77.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.196 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.447 ' SD ' HG12 ' A' ' 8' ' ' ILE . 16.8 mmt -62.94 -44.75 95.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.1 ttm -65.32 -31.81 73.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.599 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -89.55 -11.98 41.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.824 0.345 . . . . 0.0 111.377 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.5 -58.1 2.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.848 0.356 . . . . 0.0 111.242 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.685 HG21 ' HB ' ' A' ' 8' ' ' ILE . 71.9 p -103.31 -25.58 13.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.28 -175.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 103.32 -7.77 51.78 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.744 -177.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.0 m -134.47 159.18 41.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.8 t -93.33 106.26 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.844 0.354 . . . . 0.0 110.673 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.441 ' OD2' ' HA ' ' A' ' 7' ' ' PRO . 9.4 t70 -69.76 112.93 6.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.893 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -77.91 -30.97 50.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.02 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.87 75.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 -175.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.441 ' O ' HG23 ' A' ' 116' ' ' VAL . 50.8 t80 -72.76 -44.46 61.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.449 -178.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.592 ' HA ' HD23 ' A' ' 97' ' ' LEU . 49.3 m -63.9 -36.35 83.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 110.72 -176.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -73.09 -40.08 65.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.5 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -58.08 -45.36 87.3 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.77 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 112' ' ' PHE . 57.3 t -60.6 -38.63 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.411 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.7 mmt -68.93 -39.89 79.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.146 0.498 . . . . 0.0 110.219 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -70.01 -41.56 74.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.367 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.623 HD23 ' HE1' ' B' ' 122' ' ' MET . 20.4 mt -59.12 -50.93 72.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.271 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.7 p -67.17 -36.14 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -172.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -68.0 -40.12 83.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.979 0.418 . . . . 0.0 110.576 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -74.07 -38.07 64.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.796 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -60.71 -29.31 69.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.756 -175.485 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.448 ' HB2' ' HB1' ' A' ' 79' ' ' ALA . 7.3 t -102.9 4.43 37.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.912 0.387 . . . . 0.0 110.764 -177.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -105.87 85.97 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.256 0.55 . . . . 0.0 111.253 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -97.08 83.74 3.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.313 0.578 . . . . 0.0 110.42 177.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.5 m -155.71 105.47 2.41 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.257 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -99.47 6.73 45.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.321 -175.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -118.46 158.78 24.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.753 0.311 . . . . 0.0 110.468 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -67.23 109.61 3.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.766 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.8 m -85.61 -20.75 7.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.8 m -80.53 157.1 26.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.976 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 120.913 0.387 . . . . 0.0 111.003 178.244 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 111.944 -0.462 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -85.79 100.26 11.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.791 0.329 . . . . 0.0 110.794 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.76 -121.46 5.43 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.211 178.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -126.69 142.4 51.55 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.458 ' O ' ' HD3' ' B' ' 7' ' ' PRO . 19.8 m -80.05 129.96 34.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 176.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -98.96 107.31 43.08 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.929 -176.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' B' ' 5' ' ' SER . 13.3 Cg_exo -69.43 126.95 14.16 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.702 2.268 . . . . 0.0 111.144 177.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.443 ' CG2' HG21 ' B' ' 105' ' ' THR . 17.0 pt -77.16 2.61 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.637 -175.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -75.07 84.15 2.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.793 0.806 . . . . 0.0 111.261 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.2 t -154.67 -36.53 0.09 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.283 -1.326 . . . . 0.0 108.173 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -100.89 114.01 65.78 Favored Pre-proline 0 N--CA 1.452 -0.35 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 169.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' PRO . . . . . 0.503 ' HB2' ' SD ' ' B' ' 51' ' ' MET . 27.2 Cg_endo -67.88 -32.92 28.01 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.665 2.243 . . . . 0.0 112.384 -173.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -70.31 -41.8 72.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.992 0.425 . . . . 0.0 110.519 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.44 89.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.697 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.47 96.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.71 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.8 ttm -62.36 -28.26 69.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.891 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 32.2 m -61.35 -39.26 89.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.15 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.629 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 6.6 ttt -64.75 -42.44 95.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.976 177.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -59.6 -45.28 92.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.63 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -65.54 -44.9 85.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.833 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -63.62 -32.27 73.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.529 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.29 -47.48 85.77 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 120.65 0.262 . . . . 0.0 110.886 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.51 -39.52 85.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.49 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.535 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 46.0 mt-30 -66.05 -41.0 91.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 30.3 t -64.95 -42.12 94.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.482 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.63 80.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.284 0.564 . . . . 0.0 111.031 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 37.6 t -70.85 -29.54 65.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.185 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 2.2 ptp180 -98.11 6.67 47.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.639 0.257 . . . . 0.0 111.677 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.411 ' HB2' HG23 ' B' ' 31' ' ' VAL . 18.4 p -104.9 -44.38 4.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.975 0.417 . . . . 0.0 110.071 173.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.94 15.42 81.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.854 175.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.411 HG23 ' HB2' ' B' ' 29' ' ' SER . 10.7 t -79.87 -24.45 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.466 0.65 . . . . 0.0 109.774 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.578 HD23 ' HB3' ' B' ' 36' ' ' GLN . 5.3 mp -90.2 166.76 13.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.841 -174.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 23.1 p -108.08 178.08 4.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.95 -41.46 74.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.591 0.234 . . . . 0.0 110.703 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.918 ' HB3' HH22 ' A' ' 64' ' ' ARG . 4.6 m-20 -47.08 -63.37 1.05 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.684 0.754 . . . . 0.0 110.211 172.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.578 ' HB3' HD23 ' B' ' 32' ' ' LEU . 51.2 mt-30 -63.25 -46.44 86.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.277 -1.329 . . . . 0.0 112.05 -173.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 85.0 mmm -65.03 -34.02 77.43 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -176.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.455 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 37.1 t70 -81.1 -35.59 31.44 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.856 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -66.39 -43.92 84.49 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.977 0.418 . . . . 0.0 110.125 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.588 ' HG3' HG21 ' B' ' 77' ' ' VAL . 88.2 mtp -66.76 -32.5 73.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.029 0.442 . . . . 0.0 110.223 174.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.18 -47.14 91.86 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.883 176.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.425 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 18.5 ptt? -74.15 -15.72 61.02 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.459 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' MET . . . . . 0.502 ' O ' HG23 ' B' ' 47' ' ' VAL . 51.3 ttp -64.83 -50.93 64.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.067 0.46 . . . . 0.0 110.056 173.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.74 85.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.352 0.596 . . . . 0.0 110.233 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.425 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 30.0 t70 -67.44 -42.84 82.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.659 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.637 ' HB3' HE22 ' A' ' 50' ' ' GLN . 9.0 p -62.57 -46.64 87.4 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.999 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 43' ' ' MET . 43.0 t -55.5 -44.48 76.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.111 0.481 . . . . 0.0 110.281 177.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -66.39 -51.7 54.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.952 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.564 ' O ' ' HG2' ' B' ' 52' ' ' GLN . 28.9 p -70.41 -25.64 63.32 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -76.72 -32.97 58.18 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.1 175.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' MET . . . . . 0.503 ' SD ' ' HB2' ' B' ' 12' ' ' PRO . 45.3 mtp -67.73 -42.74 81.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.008 177.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' B' ' 49' ' ' SER . 11.9 pt20 -66.4 -21.53 66.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.745 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' B' ' 49' ' ' SER . 48.8 mtpt -76.58 -24.05 53.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 175.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' MET . . . . . 0.556 ' SD ' ' HD2' ' B' ' 62' ' ' ARG . 74.1 mtm -98.88 -55.13 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.09 -175.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.28 -172.6 23.14 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.091 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -72.93 -9.59 23.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.967 2.445 . . . . 0.0 112.598 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -146.13 87.94 6.48 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.226 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.42 167.78 17.01 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.97 2.447 . . . . 0.0 112.2 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -67.24 129.84 21.31 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.361 2.041 . . . . 0.0 111.2 174.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -61.12 -30.53 70.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.967 -173.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.563 ' O ' ' HB3' ' B' ' 64' ' ' ARG . 35.0 p80 -61.68 -30.69 70.9 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.414 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.557 ' O ' ' HG2' ' B' ' 66' ' ' MET . 71.4 mtt180 -69.85 -40.05 76.02 Favored 'General case' 0 CA--C 1.522 -0.106 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.223 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.65 -35.03 79.69 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 1.051 HH22 ' HB3' ' A' ' 35' ' ' ASP . 54.8 ttp180 -53.44 -50.9 64.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.104 172.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.465 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -68.75 -22.58 64.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.725 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 93.3 mmm -72.51 -29.05 63.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.611 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' B' ' 64' ' ' ARG . 11.1 t-20 -50.78 -59.47 4.06 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.547 0.53 . . . . 0.0 111.466 177.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.418 HG22 ' HB1' ' A' ' 72' ' ' ALA . 25.3 m -73.7 -27.44 61.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.2 -175.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.39 -54.43 45.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.957 0.408 . . . . 0.0 110.563 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.1 ttt -59.61 -44.49 93.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.06 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.69 88.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.304 -177.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.56 83.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.285 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -60.36 -50.08 75.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.242 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.443 ' O ' HG23 ' B' ' 78' ' ' VAL . 55.7 t -59.17 -41.64 84.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.937 0.398 . . . . 0.0 110.698 178.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.39 91.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.226 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -61.21 -43.21 99.24 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.588 HG21 ' HG3' ' B' ' 40' ' ' MET . 5.7 t -53.28 -57.76 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.054 177.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 74' ' ' VAL . 66.4 t -61.3 -39.86 84.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.456 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.19 -4.97 36.23 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 25.6 m -88.03 -12.72 43.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.301 0.572 . . . . 0.0 110.672 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 40.4 m -70.28 156.33 92.03 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.139 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' PRO . . . . . 0.638 ' HD2' ' HB2' ' B' ' 85' ' ' SER . 24.5 Cg_exo -64.49 163.06 28.3 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.672 2.248 . . . . 0.0 109.99 172.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -55.56 -43.28 59.51 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.345 2.03 . . . . 0.0 112.166 -173.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -69.82 -31.63 69.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.474 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.638 ' HB2' ' HD2' ' B' ' 82' ' ' PRO . 19.2 m -87.11 -27.41 23.12 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -53.36 -51.09 63.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.545 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 36.5 t -61.28 -40.77 95.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.873 0.368 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.71 -46.93 70.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.288 -178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.39 -42.68 96.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.979 0.419 . . . . 0.0 110.271 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.82 -51.38 70.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.365 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -55.99 -45.8 78.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.771 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 88.4 m -61.7 -55.77 26.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.848 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -60.24 -41.69 87.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.117 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.78 -31.94 65.02 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.245 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.81 -39.73 21.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.735 0.303 . . . . 0.0 110.65 176.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 92.9 m -58.38 -39.21 79.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.213 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.681 HD23 ' HA ' ' B' ' 113' ' ' THR . 6.9 mp -59.5 -45.72 90.9 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.732 0.301 . . . . 0.0 110.929 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -58.34 -52.62 64.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.698 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.7 -48.2 81.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.433 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.1 m -55.26 -38.55 68.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.358 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 11.9 mmt -64.43 -43.76 93.34 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.043 0.449 . . . . 0.0 110.87 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 22.0 ttm -68.78 -29.13 67.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.206 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -84.47 -24.93 29.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.847 0.356 . . . . 0.0 111.051 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.32 -56.62 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.312 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.443 HG21 ' CG2' ' B' ' 8' ' ' ILE . 81.3 p -107.29 -36.5 6.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.154 0.502 . . . . 0.0 111.239 -175.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 118.65 -13.79 11.79 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.528 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 22.0 m -128.84 154.24 46.65 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 61.7 t -92.83 117.75 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.016 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -88.38 132.55 34.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.091 172.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -96.2 -19.74 19.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.553 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.72 -50.49 70.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.922 0.391 . . . . 0.0 110.801 -176.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -69.8 -49.1 56.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.286 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.681 ' HA ' HD23 ' B' ' 97' ' ' LEU . 24.4 m -55.18 -43.44 74.34 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.836 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -66.08 -42.4 89.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.691 0.282 . . . . 0.0 110.892 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.08 -45.47 83.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.522 HG21 HD21 ' B' ' 97' ' ' LEU . 60.9 t -62.84 -33.59 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.255 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' B' ' 113' ' ' THR . 26.2 mmt -68.62 -43.4 76.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.316 0.579 . . . . 0.0 109.846 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -67.87 -36.24 79.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.486 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' B' ' 116' ' ' VAL . 31.0 mt -62.12 -54.14 45.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.015 177.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 13.6 p -65.98 -34.75 72.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.653 -173.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' LYS . . . . . 0.418 ' HE3' ' HB3' ' B' ' 121' ' ' LYS . 28.4 mtpp -66.28 -40.39 90.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.95 0.405 . . . . 0.0 110.367 176.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.623 ' HE1' HD23 ' A' ' 119' ' ' LEU . 41.7 ttp -67.01 -40.22 87.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.006 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.35 -20.07 65.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.286 0.565 . . . . 0.0 111.208 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 33.7 m -105.1 10.7 33.84 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.776 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.6 91.33 3.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.248 0.547 . . . . 0.0 111.218 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -85.29 78.51 9.77 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.516 0.674 . . . . 0.0 109.701 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 36.9 m -150.47 117.05 5.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.33 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -95.83 -0.65 50.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.31 0.576 . . . . 0.0 110.642 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -140.99 147.72 39.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.505 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -64.92 96.2 0.18 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.02 0.438 . . . . 0.0 110.513 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 8.6 m -85.21 67.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.773 0.797 . . . . 0.0 110.539 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 48.3 t -140.88 92.42 2.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.893 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 28.0 m . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.796 -0.621 . . . . 0.0 109.817 179.056 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.008 0 N-CA-C 111.819 -0.512 . . . . 0.0 111.819 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m -90.75 142.16 28.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.639 0.257 . . . . 0.0 110.698 -176.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.38 64.75 4.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.51 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -91.86 -14.02 30.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.071 0.463 . . . . 0.0 110.559 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.2 m -154.34 126.43 7.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.926 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 66.44 163.26 0.13 Allowed Pre-proline 0 CA--C 1.532 0.271 0 O-C-N 123.912 0.758 . . . . 0.0 111.588 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.84 162.71 15.22 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.269 1.979 . . . . 0.0 111.613 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.477 ' CG2' HG21 ' A' ' 105' ' ' THR . 9.2 pt -72.05 -0.92 2.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -175.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -74.76 3.79 7.43 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.248 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.5 m -60.17 -27.57 67.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.342 0.592 . . . . 0.0 109.826 171.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -128.02 115.39 20.41 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 170.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -65.17 -29.84 55.57 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.881 2.388 . . . . 0.0 112.63 -171.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -72.4 -39.13 68.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.781 0.324 . . . . 0.0 110.577 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.87 -42.88 84.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.239 0.542 . . . . 0.0 110.179 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' HA ' ' CD1' ' A' ' 8' ' ' ILE . . . -64.15 -41.07 97.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.635 176.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.543 ' HE2' HG12 ' A' ' 47' ' ' VAL . 48.3 ttm -62.81 -24.8 67.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.553 177.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.8 m -70.49 -34.35 72.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.089 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.933 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -65.41 -41.4 93.66 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -39.91 95.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.301 175.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -65.57 -48.41 72.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.625 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -62.54 -32.55 73.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.143 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 18' ' ' MET . 30.3 mt -61.54 -46.25 90.72 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.64 0.257 . . . . 0.0 110.673 176.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.71 -41.1 91.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.201 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.45 ' HB3' ' NH2' ' A' ' 28' ' ' ARG . 74.8 mt-30 -60.91 -47.95 84.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.021 0.439 . . . . 0.0 110.619 177.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.1 t -62.55 -39.16 92.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.692 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.18 -38.41 78.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.131 0.491 . . . . 0.0 111.206 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.9 t -67.77 -32.84 73.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.605 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.45 ' NH2' ' HB3' ' A' ' 24' ' ' GLN . 5.2 ptp180 -88.04 -20.58 25.58 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.561 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.5 p -80.27 -48.89 12.35 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.29 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.58 9.33 86.19 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.647 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 89' ' ' VAL . 11.1 p -75.51 -18.74 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.246 0.546 . . . . 0.0 110.029 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.529 HD23 ' HB3' ' A' ' 36' ' ' GLN . 5.4 mp -84.47 175.05 9.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.319 178.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.8 p -108.67 178.77 4.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.683 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.92 99.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.907 0.384 . . . . 0.0 110.258 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.43 -50.91 68.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.982 174.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.529 ' HB3' HD23 ' A' ' 32' ' ' LEU . 48.1 mt-30 -64.03 -46.25 85.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.001 -177.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 78.6 mmm -66.56 -41.45 88.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.68 -31.93 71.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.101 0.477 . . . . 0.0 110.426 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.425 ' OD1' ' HB2' ' B' ' 65' ' ' ALA . 2.7 t70 -70.98 -45.58 63.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.1 178.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 50.0 mmm -58.67 -41.33 85.9 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.349 175.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.38 -40.93 99.46 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.848 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -62.39 -39.83 94.5 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.58 0.229 . . . . 0.0 110.567 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.419 ' O ' HG23 ' A' ' 47' ' ' VAL . 39.6 ttp -55.19 -51.25 67.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.687 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.7 97.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.92 -45.37 90.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.316 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.8 t -58.34 -52.76 64.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.543 HG12 ' HE2' ' A' ' 16' ' ' MET . 53.6 t -56.16 -43.69 76.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-O 120.902 0.382 . . . . 0.0 110.655 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -63.69 -46.86 83.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.368 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 t -62.86 -44.8 95.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.651 -178.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -62.02 -38.34 88.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 68.0 mmm -62.44 -44.07 97.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.903 176.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -61.41 -33.08 73.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.793 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -78.23 -21.55 49.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.825 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.605 ' SD ' ' HD3' ' A' ' 62' ' ' ARG . 75.9 mtm -93.04 -43.14 9.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.749 0.309 . . . . 0.0 111.11 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.13 -147.11 18.44 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.591 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.84 132.64 17.32 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.766 2.311 . . . . 0.0 112.386 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 56.71 89.26 0.11 Allowed Pre-proline 0 N--CA 1.467 0.419 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.164 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -75.13 159.81 40.45 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.174 1.916 . . . . 0.0 111.409 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.478 ' HG2' ' CB ' ' A' ' 62' ' ' ARG . 12.7 Cg_endo -58.66 129.06 30.54 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.595 2.197 . . . . 0.0 111.85 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -59.23 -39.76 83.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.317 -175.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -67.41 -22.64 65.53 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.123 0.487 . . . . 0.0 110.356 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.605 ' HD3' ' SD ' ' A' ' 54' ' ' MET . 45.4 ttt180 -80.28 -28.82 38.27 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.18 -39.9 95.98 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.478 HH11 ' HG2' ' A' ' 64' ' ' ARG . 36.9 ttp85 -56.73 -44.02 81.22 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.106 172.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.434 ' HA ' ' OE2' ' B' ' 76' ' ' GLU . . . -65.76 -52.03 54.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.421 -0.808 . . . . 0.0 112.176 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 90.2 mmm -62.11 -31.04 71.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.396 -173.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -57.95 -45.83 86.04 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.214 0.531 . . . . 0.0 110.308 174.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 m -73.12 -39.15 65.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.734 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.82 53.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.192 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.9 ttt -55.64 -41.28 73.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.148 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -47.41 82.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.28 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.68 -29.82 68.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.33 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.625 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 48.6 mt-10 -65.2 -50.71 64.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.747 178.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.56 -41.17 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.21 0.528 . . . . 0.0 110.458 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.0 95.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.509 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.625 ' HG3' ' O ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -71.19 -22.51 62.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.383 -179.055 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 73' ' ' GLU . 54.6 t -65.81 -56.35 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 171.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.403 ' HB ' HG21 ' A' ' 120' ' ' VAL . 55.8 t -63.66 -37.44 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.659 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.01 -0.29 15.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.402 ' O ' HG22 ' A' ' 80' ' ' THR . 11.1 m -118.75 21.3 12.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.858 0.837 . . . . 0.0 110.242 178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.6 p -86.88 159.5 51.67 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.841 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -53.04 143.22 51.2 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.483 2.122 . . . . 0.0 111.821 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.49 -12.68 36.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.566 2.177 . . . . 0.0 112.16 -173.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -96.67 -2.69 44.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.875 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.1 m -133.91 0.53 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.615 -176.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -53.76 -48.33 69.84 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.036 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 p -62.07 -39.74 93.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.178 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.15 -47.99 72.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.044 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 31' ' ' VAL . 48.9 t -63.76 -43.14 97.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.952 0.406 . . . . 0.0 110.188 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.28 -51.35 70.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.412 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -57.6 -40.86 80.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.889 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.8 m -61.47 -57.51 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.46 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 93' ' ' ILE . 0.8 OUTLIER -58.84 -44.03 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.145 179.759 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.57 -35.06 71.3 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.564 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.22 -41.65 33.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.699 0.285 . . . . 0.0 110.559 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 79.7 m -58.03 -40.89 82.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.933 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 6.6 mp -56.93 -45.47 82.69 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.584 0.23 . . . . 0.0 111.486 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.401 HH11 ' HB3' ' A' ' 98' ' ' ARG . 1.9 ttp-105 -64.99 -44.56 88.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.167 -177.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 67.2 mm-40 -65.45 -49.46 69.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.823 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.6 m -54.7 -39.6 68.33 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.609 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.486 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 12.8 mmt -60.33 -45.85 91.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.785 0.326 . . . . 0.0 110.601 177.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 28.2 ttm -69.63 -33.39 72.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.324 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 13.0 mm100 -80.79 -16.91 52.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.775 0.322 . . . . 0.0 111.065 -178.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.66 -47.69 5.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.737 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.477 HG21 ' CG2' ' A' ' 8' ' ' ILE . 67.5 p -111.87 -20.92 11.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.908 0.385 . . . . 0.0 111.62 -174.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.22 3.04 70.16 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.1 p -142.67 153.98 43.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -177.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.486 ' HA ' ' HB3' ' A' ' 101' ' ' MET . 85.1 t -107.89 117.87 54.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.701 -176.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -87.95 125.57 34.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 170.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -96.76 -9.0 29.81 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.854 0.359 . . . . 0.0 110.533 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.3 -51.84 40.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.839 0.352 . . . . 0.0 110.271 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -65.95 -49.92 66.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.998 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.709 ' HA ' HD23 ' A' ' 97' ' ' LEU . 22.2 m -52.31 -46.26 65.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.481 -0.782 . . . . 0.0 112.033 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.474 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 52.4 t30 -67.86 -42.86 80.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.729 0.3 . . . . 0.0 110.625 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -57.07 -46.69 82.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.919 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.499 HG21 HD21 ' A' ' 97' ' ' LEU . 78.1 t -61.35 -35.05 63.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.996 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 13.8 mmt -69.92 -38.43 76.24 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 68.0 mm-40 -74.89 -34.61 62.21 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.346 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.06 -51.72 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.158 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.403 HG21 ' HB ' ' A' ' 78' ' ' VAL . 12.2 p -65.94 -34.62 71.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.348 -176.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -60.9 -54.45 44.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.098 0.475 . . . . 0.0 110.362 175.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.658 ' HE1' HD23 ' B' ' 119' ' ' LEU . 34.1 ttp -64.97 -42.87 94.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.712 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 49.9 tp -67.33 -30.78 70.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.507 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.1 t -95.14 1.87 54.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.301 0.572 . . . . 0.0 110.581 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -96.16 90.89 5.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.287 0.565 . . . . 0.0 110.71 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -97.73 132.79 43.04 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.991 175.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.0 t -130.84 141.03 50.3 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -119.48 42.53 2.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.873 0.368 . . . . 0.0 111.642 -174.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -79.78 107.78 12.83 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -77.38 109.01 10.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.481 0.658 . . . . 0.0 111.124 -175.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 29.4 m -95.05 -13.49 8.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.862 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.1 t -110.71 -165.6 1.01 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.521 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.507 179.755 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.192 -0.363 . . . . 0.0 112.192 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -71.24 114.29 9.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.875 0.369 . . . . 0.0 110.498 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.07 71.07 2.78 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.455 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -108.29 -60.66 1.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.852 -0.205 . . . . 0.0 110.796 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 54.9 m -145.15 95.11 2.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.703 0.287 . . . . 0.0 110.272 175.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.409 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 10.9 mm100 -155.15 142.42 13.78 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.118 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 6' ' ' GLN . 12.3 Cg_exo -70.74 129.25 16.26 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.24 1.96 . . . . 0.0 109.673 168.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.577 ' HB ' HG21 ' B' ' 105' ' ' THR . 1.1 pp -68.94 -14.95 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.93 0.395 . . . . 0.0 111.502 -174.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -81.58 88.1 6.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.439 0.638 . . . . 0.0 110.958 177.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.5 m -149.39 -50.79 0.15 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.537 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -89.64 117.21 67.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 171.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -66.48 -34.74 32.85 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.807 2.338 . . . . 0.0 112.609 -173.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -73.85 -34.89 64.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.835 0.35 . . . . 0.0 110.316 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.04 -48.27 71.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.11 93.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.637 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 50.8 ttm -59.78 -27.16 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.063 178.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.1 m -65.74 -41.08 92.63 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.229 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.449 ' HG3' ' SD ' ' B' ' 101' ' ' MET . 0.2 OUTLIER -62.66 -41.12 98.89 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.294 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -61.87 -42.68 99.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.811 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.425 ' O ' ' HG3' ' B' ' 24' ' ' GLN . 14.7 t-20 -73.17 -40.35 64.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.889 -176.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.18 -36.44 79.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.715 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.745 HD21 HD12 ' B' ' 97' ' ' LEU . 37.5 mt -58.47 -45.76 87.98 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.07 -36.27 77.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.466 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' B' ' 20' ' ' ASN . 69.7 mt-30 -63.78 -44.65 92.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.475 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 0.426 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 30.9 p -77.98 -37.0 48.33 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.865 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.17 91.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.062 0.458 . . . . 0.0 110.742 176.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -65.19 -27.99 69.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.796 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 18.5 ptp180 -103.94 -6.26 21.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 31.2 p -86.59 -39.18 16.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.944 0.402 . . . . 0.0 110.098 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.49 17.82 76.57 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.671 176.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.422 HG22 HG22 ' B' ' 89' ' ' VAL . 10.2 p -88.93 -13.99 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.352 0.596 . . . . 0.0 109.871 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' B' ' 36' ' ' GLN . 5.6 mp -94.96 159.18 15.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.85 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 44.5 p -96.67 -176.8 3.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.95 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.47 97.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.527 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -57.71 -51.27 70.22 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.53 ' HB3' HD23 ' B' ' 32' ' ' LEU . 79.7 mt-30 -60.85 -50.91 71.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.934 -178.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 83.3 mmm -67.07 -35.29 79.5 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -72.86 -31.1 64.5 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.15 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' B' ' 42' ' ' MET . 25.8 t0 -69.49 -50.24 47.17 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 175.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.497 ' HG2' HG21 ' B' ' 77' ' ' VAL . 55.2 mmm -57.17 -43.01 82.21 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.732 176.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.94 -45.37 92.59 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.096 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.548 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 20.3 ptt? -73.01 -21.98 60.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.648 0.261 . . . . 0.0 110.499 -179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' MET . . . . . 0.518 ' O ' HG23 ' B' ' 47' ' ' VAL . 46.0 ttp -60.27 -57.68 11.77 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 173.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.2 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.185 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.548 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 20.9 t70 -56.88 -41.66 78.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.282 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.0 t -65.44 -48.18 73.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.283 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 43' ' ' MET . 24.3 t -57.18 -47.64 83.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 120.938 0.399 . . . . 0.0 110.003 178.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' B' ' 52' ' ' GLN . 4.5 m-20 -56.23 -51.19 69.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.609 175.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 22.3 t -59.55 -47.95 83.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.993 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -65.49 -36.75 84.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.987 -176.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 62.4 mmm -67.11 -40.81 86.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.919 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' B' ' 48' ' ' ASN . 51.7 mt-30 -69.3 -21.42 63.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.98 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -80.02 -34.71 38.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 75.0 mtm -86.05 -50.01 7.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 -177.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.2 -160.39 18.51 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.545 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.43 136.39 28.59 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.789 2.326 . . . . 0.0 112.551 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 63.91 73.21 0.48 Allowed Pre-proline 0 N--CA 1.467 0.401 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.969 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -85.04 172.05 8.86 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.833 2.355 . . . . 0.0 112.301 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.41 114.64 2.03 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.681 2.254 . . . . 0.0 111.691 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -63.56 -36.36 83.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -176.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.578 ' O ' ' HB3' ' B' ' 64' ' ' ARG . 0.2 OUTLIER -71.06 -23.94 62.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.133 0.492 . . . . 0.0 110.146 -178.755 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.539 ' O ' ' HG2' ' B' ' 66' ' ' MET . 26.0 ttm180 -74.22 -33.24 63.31 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.68 -36.29 83.36 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.578 ' HB3' ' O ' ' B' ' 61' ' ' HIS . 20.8 ttp85 -55.82 -46.01 78.19 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.444 173.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.553 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -67.88 -41.26 83.04 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.784 179.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 96.0 mmm -61.77 -27.1 68.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.04 -178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -53.96 -52.04 61.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.433 174.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.544 HG21 ' HB3' ' A' ' 76' ' ' GLU . 15.9 m -67.68 -37.55 82.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.071 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.49 -52.15 66.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 0.0 110.77 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.8 ttt -60.01 -45.54 92.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.95 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.05 99.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.533 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.82 -37.5 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.468 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.59 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . 16.4 mt-10 -62.52 -44.17 97.03 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.05 178.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.44 ' O ' HG23 ' B' ' 78' ' ' VAL . 71.6 t -60.45 -41.53 87.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.033 0.444 . . . . 0.0 110.483 177.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.23 -48.41 73.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.5 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.59 ' HG2' ' HA ' ' B' ' 73' ' ' GLU . 6.5 pt-20 -63.26 -33.57 75.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.49 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.51 HG13 ' HB3' ' B' ' 36' ' ' GLN . 20.6 t -59.11 -54.28 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.369 174.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 74' ' ' VAL . 68.7 t -60.87 -42.81 94.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.329 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.44 -25.71 66.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.214 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 23.0 m -87.94 75.5 8.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.522 0.677 . . . . 0.0 110.221 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.498 ' HB3' ' NE2' ' B' ' 36' ' ' GLN . 57.3 p -157.54 163.54 24.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.142 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.31 147.07 95.59 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.083 1.855 . . . . 0.0 110.826 172.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.21 -21.94 67.21 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.177 1.918 . . . . 0.0 111.935 -173.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -81.15 -16.34 53.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.223 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.417 ' O ' HG23 ' B' ' 89' ' ' VAL . 32.1 m -114.36 -21.12 10.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.232 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -49.62 -47.54 49.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.812 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 7.2 t -63.21 -31.96 73.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.669 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.51 -44.36 35.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.569 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.422 HG22 HG22 ' B' ' 31' ' ' VAL . 44.2 t -60.36 -43.7 94.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.167 0.508 . . . . 0.0 109.883 177.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -57.58 -51.64 68.65 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.53 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.53 -37.83 82.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.181 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 58.1 m -63.29 -53.12 57.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.392 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.2 mm -62.49 -42.68 96.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.385 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.85 -36.47 87.39 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.386 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.5 -44.92 56.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.932 0.396 . . . . 0.0 110.15 175.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' CYS . . . . . 0.458 ' HB3' HD23 ' B' ' 22' ' ' LEU . 23.1 m -54.99 -41.13 70.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.0 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.745 HD12 HD21 ' B' ' 22' ' ' LEU . 1.9 mp -52.96 -49.1 66.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 111.703 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.458 ' HD3' HH11 ' B' ' 98' ' ' ARG . 13.3 ttt-85 -60.37 -51.55 69.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.23 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.42 -44.77 86.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.133 -177.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 66.3 m -55.35 -42.7 74.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.214 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.449 ' SD ' ' HG3' ' B' ' 18' ' ' MET . 17.5 mmt -63.58 -43.75 96.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.83 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 26.8 ttm -65.74 -35.81 81.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.354 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -86.31 -4.17 59.12 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.803 0.335 . . . . 0.0 111.459 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.22 -59.92 1.62 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.966 0.412 . . . . 0.0 111.167 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.577 HG21 ' HB ' ' B' ' 8' ' ' ILE . 57.8 p -99.83 -23.23 15.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.145 0.498 . . . . 0.0 111.079 -175.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 100.57 6.84 52.38 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.774 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 38.5 p -152.07 156.63 40.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.9 t -91.76 114.37 28.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.814 0.34 . . . . 0.0 111.051 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -86.21 137.34 32.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.784 173.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -97.9 -29.22 13.45 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.008 -176.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.75 -50.61 73.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.749 0.309 . . . . 0.0 111.416 -177.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.442 ' O ' HG23 ' B' ' 116' ' ' VAL . 79.4 t80 -69.19 -49.03 60.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.074 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.616 ' HA ' HD23 ' B' ' 97' ' ' LEU . 32.8 m -56.78 -43.16 80.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.181 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ASN . . . . . 0.585 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 9.5 t30 -64.87 -48.64 73.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.174 178.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.22 -42.69 95.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.1 -173.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.55 ' HA ' HD12 ' B' ' 119' ' ' LEU . 63.9 t -59.6 -38.4 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.95 0.405 . . . . 0.0 111.162 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 11.2 mmt -69.04 -39.8 78.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.123 0.487 . . . . 0.0 110.028 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' B' ' 114' ' ' ASN . 51.8 mm-40 -71.15 -35.23 71.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.21 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.658 HD23 ' HE1' ' A' ' 122' ' ' MET . 13.6 mt -58.32 -49.08 78.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.051 177.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 120' ' ' VAL . . . . . 0.439 HG21 ' HB ' ' B' ' 78' ' ' VAL . 15.0 p -72.12 -32.42 43.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.908 0.385 . . . . 0.0 111.259 -176.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -65.19 -43.73 90.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.482 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -69.23 -40.83 77.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.947 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 42.3 tp -66.42 -32.46 73.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.064 0.459 . . . . 0.0 110.791 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 35.7 t -92.1 6.21 47.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.79 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -96.03 100.43 12.1 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.911 0.386 . . . . 0.0 110.877 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -89.51 137.97 31.87 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 121.087 0.47 . . . . 0.0 110.003 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 15.7 t -136.06 123.3 21.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.359 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -104.1 26.48 8.73 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -171.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -61.38 104.84 0.44 Allowed 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 172.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -78.93 97.2 5.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.698 0.761 . . . . 0.0 112.239 -170.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 28.3 m -105.26 10.54 9.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.052 170.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 48.1 t -95.3 119.52 33.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.054 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.489 -0.767 . . . . 0.0 109.458 178.372 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -81.73 -8.78 59.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.656 0.265 . . . . 0.0 111.606 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.64 164.24 34.8 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.182 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' OD1' ' HB2' ' A' ' 107' ' ' SER . 4.9 m120 -125.15 134.88 52.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.921 0.391 . . . . 0.0 111.006 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 16.4 m -130.43 147.69 52.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.631 175.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.432 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 44.3 mt-30 69.48 141.66 0.08 OUTLIER Pre-proline 0 N--CA 1.466 0.344 0 O-C-N 123.789 0.681 . . . . 0.0 111.912 -176.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.495 ' HA ' ' OD2' ' A' ' 109' ' ' ASP . 17.2 Cg_exo -67.6 146.85 75.06 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.798 2.332 . . . . 0.0 112.424 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 pp -76.33 -6.7 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.378 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -70.15 89.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.685 0.755 . . . . 0.0 111.28 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.2 m -148.08 -44.46 0.16 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.784 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -101.12 120.72 54.37 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.797 173.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -71.81 -36.4 6.29 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.701 2.267 . . . . 0.0 112.606 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -67.94 -34.96 77.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.982 0.42 . . . . 0.0 110.586 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.57 -43.86 79.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.315 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.92 -35.64 80.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.698 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 50.3 ttm -61.2 -28.96 69.52 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.866 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.0 m -64.36 -39.99 94.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.815 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.448 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -63.66 -41.22 98.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.574 178.707 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -62.32 -45.53 92.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.662 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -68.8 -41.95 77.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.862 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -63.69 -34.0 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.39 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.72 HD21 HD12 ' A' ' 97' ' ' LEU . 23.8 mt -61.81 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.861 176.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.83 -44.49 99.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.879 0.371 . . . . 0.0 110.531 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.47 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 51.2 mt-30 -61.17 -43.41 98.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.105 0.478 . . . . 0.0 110.134 177.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.5 t -66.48 -38.4 87.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.258 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.8 -36.12 72.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.098 0.475 . . . . 0.0 110.62 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.8 t -66.57 -43.74 84.16 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.171 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.3 ptm180 -69.15 -39.15 78.99 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.236 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.514 ' HB2' HG23 ' A' ' 31' ' ' VAL . 28.0 p -67.71 -45.18 75.85 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.64 0.257 . . . . 0.0 110.58 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.84 6.56 85.55 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.799 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.514 HG23 ' HB2' ' A' ' 29' ' ' SER . 12.2 t -66.84 -29.23 45.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.478 0.656 . . . . 0.0 110.078 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.5 ' HB3' ' HB2' ' A' ' 36' ' ' GLN . 5.6 mp -90.78 149.36 22.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.141 -174.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.3 p -84.18 177.77 8.08 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.189 -177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.25 -30.96 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.483 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.17 -50.91 66.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.448 0.642 . . . . 0.0 109.433 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.62 ' HB3' HG13 ' A' ' 77' ' ' VAL . 49.0 mt-30 -65.09 -47.82 75.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.266 -178.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.08 -43.35 98.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.498 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.18 -37.13 86.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.439 . . . . 0.0 110.735 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.487 ' HB3' HG22 ' A' ' 77' ' ' VAL . 1.2 t70 -68.72 -44.53 73.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.336 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.436 ' O ' ' HB3' ' A' ' 43' ' ' MET . 93.7 mtp -61.82 -30.41 70.81 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.107 0.48 . . . . 0.0 110.378 176.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.85 -48.32 84.61 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.097 175.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.454 ' SD ' ' HD3' ' B' ' 62' ' ' ARG . 12.6 ptt? -73.37 -20.44 60.76 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.308 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.573 ' O ' HG23 ' A' ' 47' ' ' VAL . 48.7 ttp -59.99 -53.49 57.24 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -38.57 84.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.247 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.95 -45.93 91.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.251 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.0 p -62.32 -35.08 77.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.972 0.415 . . . . 0.0 111.192 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 43' ' ' MET . 28.3 t -65.72 -38.33 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.134 177.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -79.52 -40.18 30.24 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.089 -177.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.458 ' HB3' ' HE3' ' B' ' 53' ' ' LYS . 7.8 p -65.51 -28.0 68.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.625 ' HB3' ' HE2' ' A' ' 54' ' ' MET . 90.1 mt-30 -74.83 -29.45 61.07 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.255 173.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 93.1 mmm -70.31 -36.38 74.26 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.82 -178.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.411 ' HG2' ' HA ' ' A' ' 49' ' ' SER . 17.3 pt20 -72.07 -25.78 61.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.0 110.463 177.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -71.99 -53.31 13.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.096 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.625 ' HE2' ' HB3' ' A' ' 50' ' ' GLN . 55.9 mtm -89.93 -40.02 12.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.016 -171.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.2 -174.77 15.52 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -174.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.98 -1.81 11.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.814 2.342 . . . . 0.0 112.56 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -128.3 78.84 75.01 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.674 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.0 164.9 34.13 Favored 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 122.966 2.444 . . . . 0.0 112.114 171.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.554 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 36.5 Cg_endo -67.53 152.8 77.94 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.497 2.131 . . . . 0.0 111.744 175.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -58.12 -38.77 77.15 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.799 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.692 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 28.7 p80 -64.71 -25.1 67.79 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.781 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.554 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 2.9 tmt_? -69.91 -29.38 66.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 63' ' ' LEU . 4.1 mm? -68.9 -50.45 49.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.218 176.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.692 ' HG2' ' HA ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -65.66 -30.25 70.92 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.238 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.672 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -69.22 -52.64 25.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.318 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.497 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 98.0 mmm -64.98 -24.02 67.39 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.123 -176.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -55.04 -37.71 67.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.232 0.539 . . . . 0.0 109.97 172.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.597 HG22 ' HB1' ' B' ' 72' ' ' ALA . 8.0 m -89.84 -41.81 11.61 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.887 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.497 ' HB3' ' HA ' ' A' ' 66' ' ' MET . . . -57.61 -55.16 38.47 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -178.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.5 ttt -60.82 -41.32 95.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.998 0.427 . . . . 0.0 110.665 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.418 ' HB1' HG22 ' A' ' 116' ' ' VAL . . . -66.82 -43.65 83.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.26 -178.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.531 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -64.88 -35.86 82.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 77' ' ' VAL . 27.8 mm-40 -61.46 -50.88 70.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.717 175.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 78' ' ' VAL . 79.7 t -57.62 -43.02 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.348 . . . . 0.0 110.473 176.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.58 93.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 7.2 tp10 -59.49 -46.59 88.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.194 0.521 . . . . 0.0 110.061 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.62 HG13 ' HB3' ' A' ' 36' ' ' GLN . 54.5 t -56.48 -48.98 79.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.276 178.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 74' ' ' VAL . 91.1 t -65.38 -44.97 94.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.239 -178.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.76 -28.75 68.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.706 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 35.2 m -84.77 76.39 10.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.527 0.679 . . . . 0.0 110.633 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.8 p -160.8 170.45 8.46 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.029 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -58.36 138.62 86.82 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 121.863 1.708 . . . . 0.0 110.234 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.56 -16.32 54.58 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.112 1.875 . . . . 0.0 112.136 -172.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -88.56 -25.73 22.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.301 0.572 . . . . 0.0 110.63 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 89' ' ' VAL . 69.4 m -94.6 -15.18 24.28 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.332 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -51.81 -45.28 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.849 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -61.83 -42.34 98.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.259 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.04 77.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.022 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 85' ' ' SER . 59.1 t -63.42 -46.32 95.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.327 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.77 -49.83 75.29 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.186 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -56.49 -44.15 80.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.065 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.3 m -63.97 -52.78 58.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.879 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.438 HG23 HD13 ' A' ' 97' ' ' LEU . 1.3 mm -63.99 -47.51 90.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.774 178.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.58 -43.53 97.56 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.952 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.59 -35.78 70.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.837 0.351 . . . . 0.0 110.965 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.3 t -81.91 -20.19 39.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.555 -175.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.72 HD12 HD21 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -55.17 -44.26 75.04 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.425 0.631 . . . . 0.0 109.851 173.324 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.525 ' HG3' HG21 ' A' ' 108' ' ' VAL . 71.1 ttt-85 -61.77 -49.27 77.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.721 178.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 14.4 mm-40 -63.36 -49.17 74.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.715 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.2 m -55.03 -45.32 75.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.701 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.418 ' SD ' ' HG3' ' A' ' 18' ' ' MET . 11.8 mmt -60.63 -41.08 94.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.836 0.351 . . . . 0.0 110.859 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 31.3 ttm -70.15 -29.98 67.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.954 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 77.8 mm-40 -80.82 -28.53 36.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.017 0.436 . . . . 0.0 110.521 178.165 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.59 -50.32 10.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.802 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 44.0 p -109.29 -32.52 7.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 111.603 -175.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.51 -14.93 7.66 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.009 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.4 ' HB2' ' OD1' ' A' ' 4' ' ' ASN . 34.3 p -148.5 168.08 23.65 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.525 HG21 ' HG3' ' A' ' 98' ' ' ARG . 3.4 p -94.56 122.05 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.505 0.669 . . . . 0.0 112.122 -173.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.495 ' OD2' ' HA ' ' A' ' 7' ' ' PRO . 8.4 t70 -80.8 127.97 33.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.706 174.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -108.32 15.64 23.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.147 0.499 . . . . 0.0 110.756 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -96.5 -48.98 5.33 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.555 ' O ' HG23 ' A' ' 116' ' ' VAL . 88.3 t80 -70.53 -52.16 23.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.186 177.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.607 ' HA ' HD23 ' A' ' 97' ' ' LEU . 42.6 m -54.61 -42.65 71.4 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.304 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -69.33 -40.37 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.553 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -63.31 -42.44 99.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.813 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 112' ' ' PHE . 57.5 t -56.84 -38.14 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.278 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.1 mmt -69.56 -36.07 75.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.239 -175.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -76.18 -40.07 53.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.677 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.49 HD23 ' HE1' ' B' ' 122' ' ' MET . 14.7 mt -55.9 -45.24 78.71 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.002 178.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.0 p -74.22 -36.18 42.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.169 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.04 -44.02 98.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.983 0.421 . . . . 0.0 110.592 177.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.5 ttp -68.41 -36.71 79.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.917 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 36.7 tp -75.33 -22.0 57.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.001 0.429 . . . . 0.0 110.785 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.3 t -89.62 0.88 56.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -120.59 101.91 8.07 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.56 98.32 0.86 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.2 p -132.54 173.92 10.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.624 -171.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 68.95 19.47 8.19 Favored 'General case' 0 C--O 1.232 0.155 0 O-C-N 124.053 0.845 . . . . 0.0 111.348 -177.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -70.74 112.83 7.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.875 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.4 ' OE1' ' HA ' ' A' ' 130' ' ' GLU . 5.7 mm-40 -74.77 120.53 20.44 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.7 0.762 . . . . 0.0 110.725 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.5 t -87.25 -21.54 7.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 114.304 -1.316 . . . . 0.0 110.565 -174.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.1 m -132.74 140.79 48.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.947 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.779 179.891 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.343 -0.303 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.6 m -90.36 -3.06 57.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.873 0.368 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 97.94 -168.21 23.39 Favored Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 -177.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -175.0 131.23 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.362 0.601 . . . . 0.0 111.436 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 27.6 m -154.68 83.59 1.1 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.976 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -155.46 136.86 9.37 Favored Pre-proline 0 C--N 1.311 -1.073 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.087 -169.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -63.79 106.99 0.68 Allowed 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.116 1.877 . . . . 0.0 111.485 175.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -76.66 22.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.808 -177.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.529 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 79.5 m95 -90.24 17.41 7.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.48 -175.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.9 p -69.72 -31.59 69.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.378 0.609 . . . . 0.0 109.614 174.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -120.99 100.97 45.5 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.388 173.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' PRO . . . . . 0.424 ' HB3' HD11 ' B' ' 63' ' ' LEU . 32.6 Cg_endo -64.08 -32.85 63.6 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.351 2.701 . . . . 0.0 113.661 -168.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -71.52 -25.45 62.25 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.282 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.71 -35.09 45.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.429 . . . . 0.0 109.891 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.38 -36.71 83.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.868 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -62.26 -31.24 71.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.231 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 23.1 m -64.32 -36.46 84.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.203 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' MET . . . . . 1.036 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.9 -44.22 93.61 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.393 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -61.51 -43.47 98.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.714 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -65.9 -52.46 49.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.801 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -64.04 -27.78 69.34 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.41 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.579 HD11 HD12 ' B' ' 97' ' ' LEU . 13.5 tp -65.34 -34.24 77.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.228 0.537 . . . . 0.0 110.504 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.545 HG22 ' HB3' ' B' ' 40' ' ' MET . 58.7 t -76.72 -35.11 24.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.239 178.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -67.15 -40.8 86.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.964 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 0.473 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 28.7 p -70.84 -30.05 66.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.042 0.449 . . . . 0.0 110.512 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.89 -37.44 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.28 0.562 . . . . 0.0 110.615 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 22.6 t -71.95 -34.55 69.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.732 -178.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.473 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 3.1 ptm180 -74.5 -33.83 62.92 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.774 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.501 ' HB2' HG23 ' B' ' 31' ' ' VAL . 14.2 p -72.16 -50.89 24.2 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.972 0.415 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.13 16.64 76.15 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.626 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.501 HG23 ' HB2' ' B' ' 29' ' ' SER . 14.4 t -72.9 -30.17 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.498 0.666 . . . . 0.0 109.887 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.451 ' N ' HD12 ' B' ' 32' ' ' LEU . 4.6 mp -88.09 158.52 18.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.499 -176.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 44.0 p -87.65 173.07 9.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.144 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.64 -38.55 91.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.802 0.334 . . . . 0.0 111.056 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.4 ' OD2' ' HB3' ' A' ' 61' ' ' HIS . 29.4 t70 -58.99 -45.37 90.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.12 177.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.641 ' HB3' HG13 ' B' ' 77' ' ' VAL . 24.6 mt-30 -68.56 -44.98 73.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.878 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 78.5 mmm -61.12 -41.99 97.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.226 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -65.54 -34.15 77.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.621 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.474 ' O ' ' HG2' ' B' ' 42' ' ' MET . 4.0 t70 -62.99 -45.9 90.24 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.231 0.539 . . . . 0.0 110.36 177.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.545 ' HB3' HG22 ' B' ' 23' ' ' VAL . 86.3 mtp -63.59 -34.46 77.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.536 177.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.69 -45.17 93.6 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.156 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' B' ' 39' ' ' ASP . 22.0 ptt? -70.84 -23.61 62.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.826 0.346 . . . . 0.0 110.179 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' MET . . . . . 0.48 ' HB3' ' O ' ' B' ' 40' ' ' MET . 52.5 ttp -60.34 -49.95 75.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.092 174.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.19 95.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -65.85 -42.05 90.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.711 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.5 p -60.01 -47.59 85.22 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.249 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 43' ' ' MET . 21.3 t -57.77 -44.26 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.406 0.622 . . . . 0.0 109.869 176.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.29 -45.6 90.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.782 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.519 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 24.0 m -68.87 -46.36 68.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.374 -177.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -59.78 -37.37 78.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.05 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 79.6 mmm -56.34 -48.47 76.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.501 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -70.64 -24.57 62.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.448 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' B' ' 49' ' ' SER . 3.0 mmmp? -67.53 -37.17 82.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.117 0.484 . . . . 0.0 110.297 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.4 mtm -94.92 -54.17 3.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.772 -173.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.04 -171.79 27.66 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.457 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.5 -40.13 50.05 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.984 2.456 . . . . 0.0 112.65 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -132.04 90.82 34.2 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.937 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.548 ' HG2' HD21 ' B' ' 63' ' ' LEU . 73.7 Cg_endo -75.78 163.44 33.63 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.732 2.288 . . . . 0.0 111.953 175.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.481 ' HG2' ' HD2' ' B' ' 62' ' ' ARG . 10.4 Cg_endo -55.66 122.49 11.84 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.753 2.302 . . . . 0.0 111.781 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.56 ' HA ' HD23 ' B' ' 63' ' ' LEU . 15.3 mm100 -58.15 -26.44 62.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.57 -172.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.514 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 3.8 p80 -65.08 -28.27 69.35 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.323 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.535 ' O ' ' HG2' ' B' ' 66' ' ' MET . 90.9 mtt180 -72.37 -27.09 62.16 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.56 HD23 ' HA ' ' B' ' 60' ' ' GLN . 3.8 mm? -70.93 -40.64 71.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.708 177.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 34.7 ptt180 -67.12 -28.33 68.06 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.129 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.479 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -72.96 -42.92 62.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.687 173.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.535 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 92.0 mmm -56.14 -30.67 62.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 177.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.442 ' HA ' ' CZ2' ' B' ' 9' ' ' TRP . 7.6 t30 -53.76 -45.38 70.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.43 174.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.531 HG22 ' HB1' ' A' ' 72' ' ' ALA . 24.5 m -73.69 -39.61 64.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.847 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.72 -52.9 63.13 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.34 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.7 ttt -59.22 -44.86 92.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.742 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.8 99.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.384 -178.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.597 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -67.44 -37.56 83.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.332 -178.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.48 ' O ' HG23 ' B' ' 77' ' ' VAL . 28.2 mm-40 -59.63 -49.73 76.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.76 176.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.506 ' O ' HG23 ' B' ' 78' ' ' VAL . 78.8 t -58.61 -44.36 89.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.679 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.79 -42.58 93.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.672 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 13.7 tp10 -61.72 -47.97 82.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.093 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.641 HG13 ' HB3' ' B' ' 36' ' ' GLN . 69.9 t -54.58 -47.08 72.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 178.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 74' ' ' VAL . 59.5 t -66.13 -45.49 90.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.694 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.5 -7.04 44.97 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 55.1 m -78.38 -30.35 47.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 110.942 178.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 73.3 p -71.63 152.97 93.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.056 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' PRO . . . . . 0.425 ' HB2' ' HG2' ' B' ' 84' ' ' GLN . 24.1 Cg_endo -64.36 160.61 38.23 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.474 2.116 . . . . 0.0 110.974 175.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -53.48 -34.29 71.38 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.569 2.18 . . . . 0.0 111.856 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.425 ' HG2' ' HB2' ' B' ' 82' ' ' PRO . 10.9 pt20 -62.55 -32.03 72.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.553 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 23.9 m -105.9 -26.38 11.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.994 -175.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -49.95 -48.95 51.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.13 -176.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -63.48 -44.93 92.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.823 0.344 . . . . 0.0 110.95 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.06 -42.93 83.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.072 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 74.1 t -63.06 -46.42 96.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.183 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -56.85 -48.47 78.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.202 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -59.58 -42.41 92.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.971 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -65.39 -48.9 71.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.616 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.2 mm -64.81 -48.98 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.767 177.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.27 -43.63 84.32 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.83 -177.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' B' ' 99' ' ' GLU . . . -70.65 -38.67 73.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.882 0.372 . . . . 0.0 110.699 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 96' ' ' CYS . . . . . 0.477 ' SG ' HD12 ' B' ' 22' ' ' LEU . 46.6 t -66.3 -32.55 74.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.863 -176.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 1.036 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 6.2 mp -58.46 -39.61 80.38 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.024 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.549 ' HG3' HG21 ' B' ' 108' ' ' VAL . 69.0 ttt-85 -61.95 -48.33 80.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.246 176.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' B' ' 103' ' ' GLN . 4.3 mm-40 -64.24 -50.37 68.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.679 -177.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 72.5 m -57.63 -40.33 78.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.308 -175.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 16.1 mmt -63.73 -39.85 95.32 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.528 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 25.7 ttm -70.74 -25.38 62.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.655 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' B' ' 99' ' ' GLU . 73.6 mm-40 -85.71 -23.25 27.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.881 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.4 -54.56 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.772 -175.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 77.3 p -100.11 -26.05 14.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.148 0.499 . . . . 0.0 110.651 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 101.7 5.19 51.51 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -174.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 25.7 p -150.53 144.65 25.46 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.549 HG21 ' HG3' ' B' ' 98' ' ' ARG . 5.1 p -90.7 129.21 41.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.065 0.46 . . . . 0.0 110.707 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -98.71 140.5 32.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.01 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -95.62 -20.24 19.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.753 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.16 71.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.599 0.238 . . . . 0.0 111.124 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -70.42 -49.12 52.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.338 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.664 ' HA ' HD23 ' B' ' 97' ' ' LEU . 11.3 m -54.58 -45.15 73.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.987 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -67.04 -40.34 87.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.78 0.324 . . . . 0.0 110.775 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -56.54 -48.6 76.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.163 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.522 HG21 HD21 ' B' ' 97' ' ' LEU . 61.4 t -60.85 -35.07 62.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 29.8 mmt -68.55 -40.92 80.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.366 -178.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -68.65 -41.86 78.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.077 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 116' ' ' VAL . 17.8 mt -56.22 -53.23 59.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.564 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.57 -34.78 71.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.617 -172.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -66.95 -34.7 78.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.101 0.477 . . . . 0.0 110.487 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.49 ' HE1' HD23 ' A' ' 119' ' ' LEU . 39.7 ttp -79.0 -35.96 41.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.473 -177.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.52 HD21 HG21 ' A' ' 68' ' ' THR . 5.5 mp -60.93 -34.69 75.11 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.904 0.383 . . . . 0.0 111.974 -176.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 62.6 m -95.75 10.36 37.25 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.228 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -101.89 97.87 8.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 0.0 111.057 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -69.25 104.79 2.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.569 176.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 6.3 p -149.05 168.65 22.59 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.41 -173.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . 63.36 24.53 14.24 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.812 0.695 . . . . 0.0 111.511 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -69.54 104.68 2.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.371 -175.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -78.49 99.85 6.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 173.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 35.4 m -107.41 -10.45 10.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 23.5 m -78.39 79.57 4.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.057 0.456 . . . . 0.0 111.303 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.246 0.902 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.423 178.241 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 t -149.05 152.12 35.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.643 0.259 . . . . 0.0 110.393 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.34 3.72 66.48 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.862 176.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -106.01 173.97 6.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.644 0.259 . . . . 0.0 110.383 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 t -85.85 162.8 18.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.845 0.355 . . . . 0.0 110.651 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -86.48 148.39 46.57 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.753 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -61.35 162.62 19.78 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.57 2.18 . . . . 0.0 112.055 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.451 ' CG2' HG21 ' A' ' 105' ' ' THR . 9.5 pt -80.68 9.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.895 -175.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.425 ' CE2' ' HA ' ' A' ' 67' ' ' ASN . 80.4 m95 -81.03 21.17 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.573 -177.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.2 p -78.83 -16.28 57.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.406 0.622 . . . . 0.0 109.565 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.49 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 42.7 m-80 -132.67 116.17 14.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.445 176.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -59.71 -41.07 58.69 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.85 2.367 . . . . 0.0 112.587 -176.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -77.22 -32.3 55.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.375 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 11' ' ' ASN . . . -67.23 -43.38 82.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.135 176.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.78 -41.25 92.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.363 176.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.0 ttm -57.59 -33.77 68.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.781 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.0 m -62.15 -39.88 94.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.272 177.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.891 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -63.94 -41.71 97.53 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.152 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.33 -47.75 84.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.689 178.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 94.3 m-20 -62.02 -46.32 89.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.794 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.53 -32.72 71.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.145 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 97' ' ' LEU . 29.5 mt -63.46 -45.79 89.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.623 0.249 . . . . 0.0 110.746 175.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.34 -40.86 89.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.183 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 75.8 mt-30 -59.82 -51.57 69.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.469 176.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.0 t -62.15 -37.34 84.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.039 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.467 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -71.9 -40.62 68.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.019 0.438 . . . . 0.0 111.3 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.0 t -67.71 -33.97 75.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.288 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 14.8 ptm180 -77.27 -36.93 53.92 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.059 178.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 p -68.66 -47.29 66.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.792 0.329 . . . . 0.0 110.693 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.96 23.61 77.75 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.345 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.9 p -86.59 -17.31 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.196 0.522 . . . . 0.0 110.102 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.467 HD13 ' HB1' ' A' ' 26' ' ' ALA . 5.3 mp -90.87 153.85 19.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.941 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.0 p -83.59 176.39 9.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.045 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.94 -37.46 87.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.87 0.367 . . . . 0.0 110.8 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.26 -61.41 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.388 0.613 . . . . 0.0 109.808 175.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.616 ' HB3' HG13 ' A' ' 77' ' ' VAL . 44.5 mt-30 -57.42 -46.28 83.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.842 -175.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 73.1 mmm -62.72 -38.15 89.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.139 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -78.28 -32.51 49.53 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.569 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.483 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 66.7 m-20 -69.62 -34.39 74.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.99 0.424 . . . . 0.0 109.965 175.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.44 ' O ' ' HB3' ' A' ' 43' ' ' MET . 46.6 mmm -60.56 -39.18 87.03 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.502 0.668 . . . . 0.0 109.856 171.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.52 -45.02 95.75 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.467 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.592 ' SD ' ' HG3' ' B' ' 62' ' ' ARG . 12.2 ptt? -71.15 -22.67 62.02 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 122.614 -0.345 . . . . 0.0 110.626 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.44 ' HB3' ' O ' ' A' ' 40' ' ' MET . 41.9 ttp -60.67 -53.9 51.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 174.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.75 -40.34 96.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.374 176.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.529 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 28.1 t70 -60.45 -41.39 94.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.413 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.2 t -60.18 -50.78 72.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.168 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.44 ' O ' ' HG2' ' A' ' 51' ' ' MET . 44.2 t -57.41 -42.54 80.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.038 0.447 . . . . 0.0 110.501 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -66.18 -54.13 29.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.132 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 16.5 p -64.07 -34.22 77.53 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -175.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.798 ' HB3' HH22 ' A' ' 62' ' ' ARG . 15.2 mm100 -62.06 -37.85 86.58 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.617 175.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 92.1 mmm -70.79 -32.08 69.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.433 178.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -65.37 -38.01 88.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.118 0.485 . . . . 0.0 110.163 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 49' ' ' SER . 40.8 mtmt -73.27 -12.42 60.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.346 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 69.0 mtm -115.68 -161.04 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.968 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.74 -140.19 4.13 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.737 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -79.16 130.46 9.29 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.878 2.386 . . . . 0.0 112.978 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 59.57 94.15 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.403 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.506 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -79.23 163.8 24.83 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.74 2.293 . . . . 0.0 111.871 175.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.49 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 18.5 Cg_endo -61.31 139.34 82.44 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.731 2.288 . . . . 0.0 112.453 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -62.27 -42.78 99.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.885 -176.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.435 ' CE1' ' HB3' ' B' ' 38' ' ' ASP . 20.5 p80 -59.3 -30.23 68.18 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.138 0.494 . . . . 0.0 110.268 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.798 HH22 ' HB3' ' A' ' 50' ' ' GLN . 67.5 ttt-85 -74.49 -41.59 60.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.142 -177.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.02 -38.48 91.24 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 174.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 64' ' ' ARG . 30.6 ttp180 -57.06 -40.92 77.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.47 174.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.96 67.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.439 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 91.1 mmm -58.34 -31.83 67.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.749 -177.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.425 ' HA ' ' CE2' ' A' ' 9' ' ' TRP . 26.4 t-20 -50.05 -56.73 9.63 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.476 0.485 . . . . 0.0 111.577 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.4 m -71.74 -28.47 63.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.443 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.26 -52.29 65.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 110.672 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.8 ttt -64.4 -40.94 96.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.691 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.2 75.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.424 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.14 -34.41 76.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 -177.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.83 -55.93 28.1 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 123.08 0.238 . . . . 0.0 110.867 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 78' ' ' VAL . 53.5 t -56.19 -44.04 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.026 0.441 . . . . 0.0 110.643 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.31 -50.35 73.96 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.808 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.542 ' HB3' HG21 ' B' ' 68' ' ' THR . 3.1 pp20? -68.85 -28.82 67.06 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.604 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.616 HG13 ' HB3' ' A' ' 36' ' ' GLN . 24.3 t -61.41 -46.93 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 172.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 74' ' ' VAL . 95.4 t -63.22 -39.67 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.777 0.322 . . . . 0.0 110.544 176.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.81 2.89 9.08 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.89 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.42 ' HB ' ' HG2' ' A' ' 36' ' ' GLN . 40.4 m -86.7 -13.05 46.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.473 0.654 . . . . 0.0 109.775 174.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.418 ' HB2' ' HA ' ' A' ' 86' ' ' TYR . 3.2 m -73.2 145.55 85.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.684 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.8 155.92 60.9 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.111 1.874 . . . . 0.0 109.664 170.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -56.85 -35.85 98.49 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.372 2.048 . . . . 0.0 112.098 -172.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -69.32 -18.72 63.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.188 -0.914 . . . . 0.0 112.291 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 t -119.33 -3.5 10.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.963 0.411 . . . . 0.0 110.64 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.418 ' HA ' ' HB2' ' A' ' 81' ' ' SER . 38.4 t80 -60.97 -47.79 84.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.191 -177.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -62.82 -41.06 99.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.75 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.14 -49.48 77.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 81.5 t -65.44 -42.39 93.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.48 -52.32 66.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.453 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -57.73 -38.76 75.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.763 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.0 m -63.04 -59.24 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.626 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.481 ' HA ' HD13 ' A' ' 93' ' ' ILE . 0.7 OUTLIER -58.41 -44.15 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 -178.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.46 -41.4 88.26 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.084 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.73 -40.34 72.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.716 0.293 . . . . 0.0 110.841 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.6 m -59.32 -44.05 92.61 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.024 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.891 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 7.6 mp -54.07 -44.12 70.87 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.712 0.291 . . . . 0.0 111.551 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -60.16 -49.17 78.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.128 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -72.9 -42.03 64.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.08 -176.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.3 m -58.4 -35.89 72.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.038 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.415 ' HB3' ' O ' ' A' ' 107' ' ' SER . 9.7 mmt -64.27 -44.33 92.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.805 177.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 29.7 ttm -69.61 -30.07 67.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -80.39 -13.26 59.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.791 0.329 . . . . 0.0 110.922 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.46 -57.95 2.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.784 0.326 . . . . 0.0 111.227 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.451 HG21 ' CG2' ' A' ' 8' ' ' ILE . 82.5 p -109.79 -18.77 13.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.035 0.445 . . . . 0.0 111.293 -175.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.61 5.0 65.26 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.429 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 101' ' ' MET . 32.1 p -141.72 149.99 41.22 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.2 t -96.78 111.84 27.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.765 0.317 . . . . 0.0 110.678 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -81.82 124.85 30.03 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -89.66 -27.61 20.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.976 -175.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.78 -48.39 81.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.794 0.331 . . . . 0.0 110.94 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -69.48 -52.82 23.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.386 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.778 ' HA ' HD23 ' A' ' 97' ' ' LEU . 23.6 m -53.92 -43.45 69.76 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.9 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.551 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 56.9 t30 -69.48 -42.34 74.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.613 0.244 . . . . 0.0 110.754 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.98 -43.58 95.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.95 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' A' ' 119' ' ' LEU . 90.8 t -59.34 -36.62 64.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 120.883 0.373 . . . . 0.0 110.777 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.413 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 27.2 mmt -69.89 -31.77 69.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.21 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 25.7 mm-40 -78.51 -42.14 30.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.275 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.546 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 13.9 mt -54.92 -51.76 65.04 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.734 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.19 -39.27 84.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.609 -174.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 117' ' ' MET . 55.3 mtpt -62.56 -41.8 99.15 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 110.745 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.422 ' HE1' HD23 ' B' ' 119' ' ' LEU . 45.6 ttp -67.68 -39.94 84.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.709 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 91.4 mt -66.85 -40.83 88.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.1 t -89.81 15.47 9.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -92.05 84.49 5.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.304 0.573 . . . . 0.0 111.426 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -94.55 118.96 32.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.665 177.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.6 m -134.21 22.08 3.76 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.555 0.693 . . . . 0.0 109.72 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.57 -28.6 33.77 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.014 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -100.69 64.68 1.11 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.364 177.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.63 142.61 48.32 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.921 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 30.1 m -108.52 28.07 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.156 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.6 m -49.17 108.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.31 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 13.1 m . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.303 -178.062 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.438 0 N-CA-C 112.259 -0.336 . . . . 0.0 112.259 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -164.38 165.87 21.21 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.13 -10.4 85.55 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.479 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -118.33 164.82 14.64 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.5 t -72.9 175.76 6.28 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.151 0.501 . . . . 0.0 110.561 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.4 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 26.0 mp0 -100.07 150.63 37.05 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.319 -178.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 6' ' ' GLN . 37.7 Cg_exo -61.66 168.24 8.75 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.833 2.356 . . . . 0.0 112.586 177.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.429 ' CG2' HG21 ' B' ' 105' ' ' THR . 27.2 pt -80.63 15.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.357 -174.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -81.3 46.85 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.142 0.496 . . . . 0.0 111.736 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.5 p -91.22 -21.68 21.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.347 0.594 . . . . 0.0 109.74 172.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.471 ' HA ' ' HD3' ' B' ' 12' ' ' PRO . 45.9 m-80 -133.8 132.36 21.54 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.533 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 11' ' ' ASN . 16.6 Cg_exo -64.26 -50.02 3.13 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.794 2.329 . . . . 0.0 112.812 -173.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -74.07 -27.71 61.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.736 -175.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.73 -45.43 78.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.993 0.425 . . . . 0.0 110.446 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.14 -34.21 70.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.052 0.453 . . . . 0.0 110.396 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 46.1 ttm -55.34 -31.89 62.09 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.457 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 48.1 m -62.59 -34.83 77.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.967 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.793 ' HE2' ' HG ' ' B' ' 97' ' ' LEU . 7.5 ttt -65.84 -43.66 87.82 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 175.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -44.85 94.35 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.957 -178.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -68.52 -42.71 78.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -64.9 -29.58 70.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.223 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 18' ' ' MET . 37.5 mt -63.19 -45.74 90.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.747 0.308 . . . . 0.0 110.651 175.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.19 -41.12 91.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.123 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -62.84 -42.74 99.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.542 176.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 0.589 ' HA ' ' CD ' ' B' ' 28' ' ' ARG . 34.3 t -66.79 -36.59 82.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.05 0.452 . . . . 0.0 110.783 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.501 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -70.47 -38.23 74.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.255 0.55 . . . . 0.0 110.987 176.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 32.8 t -71.8 -31.81 66.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.866 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.589 ' CD ' ' HA ' ' B' ' 25' ' ' CYS . 1.8 ptm180 -81.1 -19.76 42.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.729 0.3 . . . . 0.0 110.7 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.6 p -88.51 -48.42 7.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.821 0.343 . . . . 0.0 110.734 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.0 20.15 73.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.708 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.559 HG13 HD12 ' B' ' 32' ' ' LEU . 10.7 p -86.8 -21.08 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.979 0.419 . . . . 0.0 110.583 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.649 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.9 mp -86.22 152.71 22.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.329 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 80.7 p -90.65 178.29 6.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.407 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.37 -30.52 68.47 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.028 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.62 -64.51 0.92 Allowed 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.772 0.796 . . . . 0.0 109.195 173.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.649 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 40.8 mt-30 -61.25 -41.37 96.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 113.975 -1.466 . . . . 0.0 111.978 -171.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 82.8 mmm -65.89 -33.06 74.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -176.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.435 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 33.9 t70 -78.76 -36.49 42.96 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.21 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.481 ' HA ' ' HG2' ' B' ' 42' ' ' MET . 67.6 m-20 -66.2 -40.64 90.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.929 176.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.621 ' HG2' HG11 ' B' ' 77' ' ' VAL . 61.1 mmm -60.98 -41.67 96.91 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.192 0.52 . . . . 0.0 110.097 172.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.8 -49.15 78.92 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.192 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.599 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 12.8 ptt? -70.42 -20.98 62.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.106 -0.237 . . . . 0.0 110.881 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' MET . . . . . 0.418 ' HB3' ' O ' ' B' ' 40' ' ' MET . 45.3 ttp -62.3 -53.41 55.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 173.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.3 98.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.754 175.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.599 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 21.2 t70 -54.74 -43.02 72.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.346 177.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 32.4 t -60.47 -48.71 80.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.636 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 43' ' ' MET . 21.3 t -62.48 -46.48 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.591 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -62.04 -48.33 80.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.121 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.442 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 49.7 p -66.26 -37.0 84.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.14 -175.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -61.77 -31.55 71.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.522 0.201 . . . . 0.0 111.25 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' MET . . . . . 0.429 ' SD ' ' HB2' ' B' ' 12' ' ' PRO . 37.2 mtp -72.56 -26.65 61.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 176.057 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -86.15 -27.47 24.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 49' ' ' SER . 6.5 mmmm -63.79 -39.17 93.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.485 173.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 63.3 mtm -92.44 178.37 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.03 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -118.42 -138.71 5.97 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 176.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.78 147.92 31.7 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.384 2.056 . . . . 0.0 112.191 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 64.47 89.39 0.1 Allowed Pre-proline 0 N--CA 1.466 0.372 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.359 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -86.28 158.53 9.7 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.873 2.382 . . . . 0.0 112.837 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.471 ' HG2' ' CB ' ' B' ' 62' ' ' ARG . 67.4 Cg_endo -76.55 136.81 17.74 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 123.472 2.782 . . . . 0.0 112.638 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -70.59 -39.34 73.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.455 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.472 ' HD1' ' CG ' ' A' ' 39' ' ' ASP . 22.6 p80 -62.33 -28.11 69.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.603 0.24 . . . . 0.0 110.915 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.592 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 14.9 ttm180 -70.94 -37.41 72.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.21 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.44 -37.94 89.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -60.99 -39.1 88.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.906 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.2 -46.67 40.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.143 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 94.6 mmm -59.73 -31.78 69.94 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.313 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -50.82 -54.19 25.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.165 0.507 . . . . 0.0 110.645 175.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.542 HG21 ' HB3' ' A' ' 76' ' ' GLU . 8.0 m -74.78 -30.88 61.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.868 -177.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -59.82 -56.95 15.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.383 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.7 ttt -57.74 -44.03 85.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.044 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.81 92.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.382 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.435 ' HA ' HD13 ' B' ' 119' ' ' LEU . . . -70.94 -33.94 70.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.093 -178.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 44.3 mt-10 -61.38 -52.13 65.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.622 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.482 ' O ' HG23 ' B' ' 78' ' ' VAL . 52.3 t -54.52 -44.91 70.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.109 0.48 . . . . 0.0 110.592 176.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.22 -48.15 82.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.757 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -69.52 -28.38 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.728 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.621 HG11 ' HG2' ' B' ' 40' ' ' MET . 35.2 t -62.08 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 173.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 74' ' ' VAL . 61.0 t -62.88 -40.18 87.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.081 0.467 . . . . 0.0 110.507 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.23 -4.19 27.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.841 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 87.2 m -80.57 -28.83 37.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 110.964 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' B' ' 82' ' ' PRO . 31.3 p -74.5 148.8 85.96 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.964 -178.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 81' ' ' SER . 33.3 Cg_exo -60.06 162.07 17.53 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.203 2.602 . . . . 0.0 111.86 178.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -52.21 -41.1 67.63 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.941 2.427 . . . . 0.0 113.109 -172.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -71.39 -17.27 62.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.49 -175.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 25.9 t -112.33 -8.83 13.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.717 0.294 . . . . 0.0 110.641 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -56.79 -56.53 20.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.731 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -65.54 -35.67 81.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.622 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.1 -47.92 82.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.912 0.387 . . . . 0.0 111.07 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 88.1 t -67.4 -41.95 86.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.092 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -58.49 -50.43 73.77 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.657 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -56.48 -40.77 75.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.579 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.1 m -66.54 -54.05 27.99 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.692 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -59.05 -41.92 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.995 179.567 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.01 -39.57 79.7 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.332 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.83 -37.2 56.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.956 0.408 . . . . 0.0 110.475 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 87.4 m -60.97 -38.33 85.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.605 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.793 ' HG ' ' HE2' ' B' ' 18' ' ' MET . 7.9 mp -60.54 -44.14 96.42 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.811 177.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.482 ' HG3' HG11 ' B' ' 108' ' ' VAL . 42.8 ttt180 -59.75 -47.5 85.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.581 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -65.51 -50.87 63.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.225 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.3 m -55.06 -41.22 71.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.571 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.472 ' HB3' ' O ' ' B' ' 107' ' ' SER . 11.5 mmt -60.26 -45.33 93.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.027 0.441 . . . . 0.0 110.69 177.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 23.2 ttm -66.61 -32.96 74.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.228 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -81.39 -22.29 38.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.845 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.78 -64.32 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.901 0.381 . . . . 0.0 111.255 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.429 HG21 ' CG2' ' B' ' 8' ' ' ILE . 63.5 p -97.6 -31.76 12.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.438 -176.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.01 7.27 38.59 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -174.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' SER . . . . . 0.472 ' O ' ' HB3' ' B' ' 101' ' ' MET . 14.0 p -143.05 150.0 38.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.482 HG11 ' HG3' ' B' ' 98' ' ' ARG . 64.1 t -97.56 110.3 25.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.708 0.29 . . . . 0.0 110.806 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -78.82 133.44 37.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.953 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.46 -31.78 15.14 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.078 -177.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.5 63.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.787 0.327 . . . . 0.0 111.417 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -68.1 -49.09 63.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.321 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.732 ' HA ' HD23 ' B' ' 97' ' ' LEU . 22.9 m -58.7 -36.21 73.87 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.773 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -73.79 -41.21 62.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.6 0.238 . . . . 0.0 110.883 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.82 -44.69 93.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -176.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.522 HG21 HD21 ' B' ' 97' ' ' LEU . 69.3 t -60.89 -35.59 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.834 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 28.5 mmt -69.2 -28.6 66.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.69 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -80.41 -44.72 18.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.886 0.374 . . . . 0.0 110.258 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' B' ' 116' ' ' VAL . 16.5 mt -55.07 -48.94 72.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.062 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 8.4 p -66.05 -41.21 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.052 -174.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -68.45 -34.54 76.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.905 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.487 ' HE1' HD23 ' A' ' 119' ' ' LEU . 45.7 ttp -69.52 -38.34 77.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.46 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' B' ' 119' ' ' LEU . 92.1 mt -70.68 -24.01 62.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.169 0.509 . . . . 0.0 110.811 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 46.0 m -103.24 10.15 37.8 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.045 -178.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -82.54 85.86 6.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.373 0.606 . . . . 0.0 111.319 -176.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -79.45 101.95 8.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.29 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 26.4 m -106.96 20.26 19.29 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.011 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.15 -5.74 49.49 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.261 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -83.18 89.57 6.98 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.725 176.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -66.14 115.31 6.02 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.179 -0.918 . . . . 0.0 110.908 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 35.5 m -79.08 -11.9 13.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.753 175.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 3.7 m -60.35 109.34 0.97 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.104 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.251 -178.428 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.028 -0.429 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 m -69.83 110.34 4.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.917 0.389 . . . . 0.0 110.238 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 106.15 30.73 4.35 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.277 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -88.87 -23.61 22.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.206 0.527 . . . . 0.0 110.308 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.3 m -149.11 155.18 40.32 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.421 ' O ' ' HG3' ' A' ' 6' ' ' GLN . 25.9 pt20 -129.51 109.77 17.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 121.22 0.533 . . . . 0.0 111.318 -176.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -86.47 153.2 9.12 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.081 2.521 . . . . 0.0 111.071 173.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 15' ' ' ALA . 5.6 pt -79.3 9.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.889 0.376 . . . . 0.0 111.425 -178.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -82.49 25.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.623 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.1 t -75.7 -21.36 57.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 171.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -134.9 114.0 11.79 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.177 -0.919 . . . . 0.0 108.561 171.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -65.28 -28.49 55.36 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.807 2.338 . . . . 0.0 112.628 -174.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -72.28 -37.94 68.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.752 0.311 . . . . 0.0 110.222 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.14 82.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.118 0.485 . . . . 0.0 110.164 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' HA ' ' CD1' ' A' ' 8' ' ' ILE . . . -64.97 -41.76 95.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.107 175.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 46.8 ttm -63.02 -28.95 70.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.559 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.6 m -62.34 -40.69 97.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.931 176.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.871 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -63.51 -41.42 98.52 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.105 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.52 -44.78 95.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.054 178.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -72.37 -37.19 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.338 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -62.05 -36.28 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.83 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.5 mt -59.34 -45.12 92.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.708 0.289 . . . . 0.0 110.919 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.8 t -62.91 -41.88 94.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.519 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -67.17 -36.15 81.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.893 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.539 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 39.4 t -68.57 -37.91 80.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.248 0.546 . . . . 0.0 110.335 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.87 -34.39 73.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.772 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.7 t -72.13 -35.82 69.22 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.054 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.539 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 3.5 ptp180 -75.23 -27.85 59.67 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.93 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.439 ' HB2' HG23 ' A' ' 31' ' ' VAL . 28.5 p -81.89 -54.69 5.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.635 0.255 . . . . 0.0 110.555 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.25 28.36 60.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.66 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 ' HB2' ' A' ' 29' ' ' SER . 12.2 t -81.83 -22.32 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.481 0.658 . . . . 0.0 109.92 177.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 32' ' ' LEU . 4.5 mp -94.68 158.7 15.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.517 -175.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.5 p -82.99 172.82 12.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.529 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.96 98.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.629 0.252 . . . . 0.0 111.409 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.89 -37.28 86.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 0.0 110.338 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -69.73 -40.34 76.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.714 177.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 82.9 mmm -66.44 -40.22 89.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.08 0.467 . . . . 0.0 110.843 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.61 -30.51 69.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.022 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -65.36 -46.57 79.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.62 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.55 ' O ' ' HB3' ' A' ' 43' ' ' MET . 89.0 mtp -66.93 -33.16 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.394 176.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.39 -46.63 93.47 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.164 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.515 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 11.7 ptt? -75.88 -15.3 60.23 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.303 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.55 ' HB3' ' O ' ' A' ' 40' ' ' MET . 47.7 ttp -62.0 -51.63 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 171.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.78 84.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.057 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.515 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 19.4 t70 -61.62 -48.06 82.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.706 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 p -64.68 -32.61 74.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 111.416 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 43' ' ' MET . 45.9 t -70.02 -42.16 79.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.942 0.401 . . . . 0.0 110.295 174.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -72.66 -42.1 64.7 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.381 -174.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 8.3 p -62.21 -38.46 89.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -175.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.54 ' HB2' ' NH2' ' A' ' 62' ' ' ARG . 48.0 mt-30 -68.04 -28.28 67.25 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.774 178.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 91.0 mmm -67.64 -31.56 71.64 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 176.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -77.02 -24.57 52.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.033 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.455 ' HE3' ' HB3' ' B' ' 49' ' ' SER . 7.8 mtpm? -78.15 -17.9 56.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.734 175.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 69.4 mtm -113.77 -164.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.501 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -138.4 -153.28 6.17 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.863 -0.685 . . . . 0.0 112.292 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.44 129.97 26.91 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 123.125 2.55 . . . . 0.0 112.366 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.9 t30 54.56 80.55 0.29 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.247 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -68.15 161.7 43.31 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.784 2.323 . . . . 0.0 111.646 175.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.455 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 14.4 Cg_endo -57.42 118.61 5.51 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.574 2.182 . . . . 0.0 111.472 177.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.411 ' HA ' HD13 ' A' ' 63' ' ' LEU . 85.7 mm-40 -58.7 -29.62 66.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.83 -174.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.828 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 9.6 p80 -67.62 -26.83 66.44 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.127 0.489 . . . . 0.0 110.562 178.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.614 ' O ' ' HG2' ' A' ' 66' ' ' MET . 3.2 tmt_? -67.28 -34.96 78.5 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 173.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 60' ' ' GLN . 9.6 mp -69.9 -37.14 75.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.156 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.828 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 32.8 ptt180 -63.3 -39.74 95.43 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.21 84.15 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.821 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.614 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 97.1 mmm -69.18 -28.96 66.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.208 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -58.36 -48.58 80.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.135 0.493 . . . . 0.0 110.041 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.537 HG22 ' HB1' ' B' ' 72' ' ' ALA . 11.6 m -71.11 -36.41 72.15 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.709 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -62.59 -55.2 29.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.185 178.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.9 ttt -55.74 -44.48 77.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.103 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.98 98.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.087 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.562 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -72.55 -32.1 65.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.263 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.564 ' O ' HG23 ' A' ' 77' ' ' VAL . 49.1 mt-10 -62.2 -48.3 80.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.401 177.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.41 -45.39 93.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.998 0.428 . . . . 0.0 110.648 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.404 ' HB1' ' HA ' ' A' ' 120' ' ' VAL . . . -59.94 -40.95 90.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.698 179.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.619 ' HG3' ' HA ' ' B' ' 65' ' ' ALA . 1.3 tm-20 -58.46 -49.09 78.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.58 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 73' ' ' GLU . 78.3 t -56.61 -47.45 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.427 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.89 -37.58 68.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.777 -176.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.44 -16.46 63.49 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -174.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.2 m -83.0 -7.26 59.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.119 0.485 . . . . 0.0 111.234 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.3 m -68.63 153.64 95.57 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.683 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.584 ' HD2' ' HB3' ' A' ' 85' ' ' SER . 44.9 Cg_exo -57.72 161.75 11.96 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.976 2.451 . . . . 0.0 111.22 177.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -61.51 -33.93 86.6 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.149 1.899 . . . . 0.0 111.865 -171.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -90.55 -24.6 20.56 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.733 -176.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.584 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 19.7 t -92.69 -16.93 24.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.241 0.543 . . . . 0.0 110.222 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -54.24 -46.11 72.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.195 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.6 t -64.43 -37.11 86.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.02 -50.2 62.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.952 0.406 . . . . 0.0 110.749 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 63.9 t -62.4 -42.3 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.457 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.73 -49.42 77.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.623 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -59.33 -37.6 78.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.533 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.4 m -64.96 -55.22 20.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.745 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 93' ' ' ILE . 0.8 OUTLIER -61.13 -41.91 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.986 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.75 -41.06 82.08 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.379 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.84 -38.66 67.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.76 0.314 . . . . 0.0 110.612 177.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 99.0 m -59.17 -44.59 92.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.558 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.871 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 8.5 mp -55.2 -41.23 71.69 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.665 0.269 . . . . 0.0 111.577 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.568 ' HG3' HG21 ' A' ' 108' ' ' VAL . 54.4 ttt-85 -62.5 -53.63 51.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.858 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -65.79 -45.73 81.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.871 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.8 m -57.92 -37.3 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.671 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.549 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 10.3 mmt -64.37 -44.76 90.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.772 0.32 . . . . 0.0 110.432 177.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 26.3 ttm -68.12 -31.8 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.058 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -82.57 -13.68 56.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.821 0.344 . . . . 0.0 110.895 177.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.01 -65.26 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.045 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 76.4 p -95.03 -22.0 18.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.057 0.456 . . . . 0.0 111.263 -175.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 102.61 -1.15 49.21 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.4 -175.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.0 m -146.03 157.47 43.86 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.568 HG21 ' HG3' ' A' ' 98' ' ' ARG . 7.6 p -107.33 125.39 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.491 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -87.84 146.49 25.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.769 173.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -105.08 -15.35 15.11 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.236 -177.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.17 -51.8 41.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.655 0.264 . . . . 0.0 110.595 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -66.04 -48.73 70.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.068 0.461 . . . . 0.0 109.946 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.741 ' HA ' HD23 ' A' ' 97' ' ' LEU . 12.1 m -54.33 -44.81 72.38 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.677 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -69.51 -41.62 75.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.333 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -59.24 -45.17 91.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.524 HG21 HD21 ' A' ' 97' ' ' LEU . 67.6 t -61.16 -37.94 78.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.719 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 24.6 mmt -63.26 -34.85 78.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.769 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -73.74 -45.93 48.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.053 0.454 . . . . 0.0 110.161 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 13.6 mt -55.05 -52.9 61.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.553 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.404 ' HA ' ' HB1' ' A' ' 75' ' ' ALA . 13.5 p -63.12 -35.56 72.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.802 -173.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -75.32 -36.85 61.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.768 0.318 . . . . 0.0 110.458 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 37.0 ttp -68.58 -36.2 78.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.372 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 84.0 mt -62.59 -22.03 66.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.823 0.344 . . . . 0.0 111.246 -178.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t -116.76 20.82 13.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.935 0.398 . . . . 0.0 110.201 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -105.45 29.36 6.56 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.865 -176.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -79.59 126.05 30.4 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.1 m -72.82 81.12 1.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.191 0.519 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -101.75 31.69 3.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.188 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -72.02 99.65 2.32 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.107 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -76.64 109.85 10.74 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.919 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 27.5 m -100.39 -18.61 6.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.433 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.7 t -84.95 101.87 12.7 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.515 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 18.1 p . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.42 -178.386 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.068 -0.413 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.8 p -155.57 105.91 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.666 0.27 . . . . 0.0 110.4 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.99 19.17 77.88 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.053 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -96.88 138.62 34.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.638 0.256 . . . . 0.0 110.425 -177.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -61.32 129.3 40.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.952 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 12.7 pm0 -98.98 128.05 33.33 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-O 121.168 0.509 . . . . 0.0 111.286 -174.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -89.06 162.73 5.85 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.775 2.316 . . . . 0.0 110.955 171.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.577 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.6 pp -74.28 -13.37 15.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.862 0.363 . . . . 0.0 111.068 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -72.63 83.07 1.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.846 0.832 . . . . 0.0 111.271 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.8 m -150.08 -34.68 0.17 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.368 174.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.528 ' HB2' ' HB3' ' B' ' 14' ' ' ALA . 58.6 m-20 -95.31 109.6 45.98 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.694 173.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.32 -45.18 15.88 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.573 2.182 . . . . 0.0 113.233 -170.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -79.88 -25.77 40.53 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.779 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' B' ' 11' ' ' ASN . . . -67.71 -41.64 83.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.953 0.406 . . . . 0.0 109.94 173.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.04 -37.94 87.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.226 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 42.3 ttm -64.17 -28.56 69.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.728 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.5 m -63.46 -36.72 84.67 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 176.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' MET . . . . . 1.054 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -64.39 -45.66 86.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.068 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.79 -42.4 93.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.538 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -65.63 -50.04 66.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.485 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.15 -33.59 72.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.374 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.419 HD21 ' HA ' ' B' ' 97' ' ' LEU . 24.8 mt -59.29 -51.4 70.12 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.64 0.257 . . . . 0.0 110.439 175.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.34 -43.92 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.602 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 45.9 mt-30 -59.74 -49.17 78.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.719 0.295 . . . . 0.0 110.577 177.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 37.7 t -62.89 -42.75 99.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -178.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.15 -38.54 82.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.173 0.511 . . . . 0.0 111.354 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 26.1 t -70.38 -39.15 74.73 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.951 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 16.0 ptp180 -83.27 -17.43 42.63 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.453 -178.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 26.4 p -79.1 -39.98 32.31 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 171.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.42 27.53 71.27 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.637 174.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 t -84.51 -22.22 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.444 0.64 . . . . 0.0 109.528 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.445 ' N ' HD12 ' B' ' 32' ' ' LEU . 5.0 mp -100.98 153.5 19.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.238 -177.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 63.3 p -84.29 170.61 13.5 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.249 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.06 -29.19 70.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.871 0.367 . . . . 0.0 110.705 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -59.45 -53.8 53.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.391 174.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.572 ' HB3' HG13 ' B' ' 77' ' ' VAL . 51.8 mt-30 -65.1 -43.99 90.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.127 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 80.3 mmm -64.02 -31.57 72.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.657 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.503 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 2.5 t70 -74.13 -35.31 64.1 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -48.36 77.18 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.936 171.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.421 ' O ' ' HB3' ' B' ' 43' ' ' MET . 89.3 mtp -66.41 -36.79 83.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.139 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.41 -44.19 97.98 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.624 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -64.15 -33.81 76.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.962 0.41 . . . . 0.0 110.548 176.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' MET . . . . . 0.456 ' O ' HG23 ' B' ' 47' ' ' VAL . 42.8 ttp -58.8 -47.31 85.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.503 177.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.88 94.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.467 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.12 -39.51 82.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.898 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.7 p -65.77 -36.22 82.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 43' ' ' MET . 43.1 t -69.19 -39.13 78.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.168 0.508 . . . . 0.0 109.881 173.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -69.36 -47.93 62.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.304 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.455 ' HB3' ' HE3' ' A' ' 53' ' ' LYS . 7.0 p -59.13 -43.54 92.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.74 -173.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.571 ' HB2' ' NH2' ' B' ' 62' ' ' ARG . 48.3 mt-30 -64.39 -26.35 68.42 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.92 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 83.5 mmm -74.31 -26.5 60.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.896 0.379 . . . . 0.0 110.624 178.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -80.15 -31.6 38.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.29 0.567 . . . . 0.0 109.544 175.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -73.88 -32.86 63.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.392 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 73.0 mtm -91.29 178.81 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.397 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.27 -138.87 4.67 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.196 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.0 126.17 13.48 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.62 2.213 . . . . 0.0 112.56 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 60.64 89.59 0.1 Allowed Pre-proline 0 N--CA 1.467 0.423 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.93 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.69 163.84 31.09 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.96 2.44 . . . . 0.0 111.699 176.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' B' ' 62' ' ' ARG . 20.6 Cg_endo -63.01 135.64 52.38 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.396 2.064 . . . . 0.0 112.007 177.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -60.29 -36.44 77.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.796 -176.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.829 ' HA ' ' HG2' ' B' ' 64' ' ' ARG . 13.8 p80 -65.66 -21.78 66.58 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.116 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.571 ' NH2' ' HB2' ' B' ' 50' ' ' GLN . 2.3 tmt_? -65.32 -33.98 77.26 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 94.3 mt -74.06 -42.2 60.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.84 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.829 ' HG2' ' HA ' ' B' ' 61' ' ' HIS . 39.2 ptt85 -66.45 -33.32 75.43 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.409 -178.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.619 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . . . -76.63 -45.83 28.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 98.8 mmm -65.58 -24.28 67.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.427 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -54.63 -55.99 23.77 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.547 172.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.562 HG22 ' HB1' ' A' ' 72' ' ' ALA . 17.0 m -72.15 -34.24 68.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.791 -178.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -61.06 -55.33 33.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.793 178.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 18.8 ttt -55.89 -45.46 78.6 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.954 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.82 99.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.28 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.537 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -68.78 -38.04 79.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.453 -178.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.536 ' O ' HG23 ' B' ' 77' ' ' VAL . 49.0 mt-10 -62.82 -45.26 93.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.456 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.45 ' O ' HG23 ' B' ' 78' ' ' VAL . 51.3 t -59.65 -43.81 92.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.664 0.269 . . . . 0.0 110.639 175.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.41 95.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.04 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -59.28 -47.94 83.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.934 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.572 HG13 ' HB3' ' B' ' 36' ' ' GLN . 97.5 t -60.02 -43.16 91.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.485 -179.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 74' ' ' VAL . 69.5 t -69.9 -42.61 79.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.116 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.51 91.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.2 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 24.5 m -79.46 76.14 6.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.33 0.585 . . . . 0.0 110.575 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 77.8 p -154.65 161.42 29.42 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.61 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.79 139.61 86.26 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.121 1.881 . . . . 0.0 111.0 175.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.97 -19.65 66.74 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.585 2.19 . . . . 0.0 112.273 -173.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.445 ' NE2' ' HB2' ' B' ' 85' ' ' SER . 4.7 pp0? -80.67 -17.96 49.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.447 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.445 ' HB2' ' NE2' ' B' ' 84' ' ' GLN . 10.7 t -118.29 -4.34 10.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.967 -177.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -56.1 -48.37 76.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.652 0.263 . . . . 0.0 110.717 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 32.5 t -61.22 -38.13 85.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.96 -51.73 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.729 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.37 -44.02 91.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.46 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.1 -51.43 70.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.357 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -63.4 -37.08 85.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.712 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.6 m -62.35 -54.72 36.34 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.272 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.7 OUTLIER -60.03 -45.08 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.675 178.674 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.54 -44.15 85.73 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.189 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.14 -42.63 75.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.646 0.26 . . . . 0.0 110.748 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 86.7 m -61.42 -34.91 76.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.293 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 1.054 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 3.9 mp -58.09 -46.35 85.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.66 0.267 . . . . 0.0 111.227 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.414 ' HA ' HG23 ' B' ' 108' ' ' VAL . 72.3 ttt-85 -58.94 -48.7 80.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -65.6 -47.45 75.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.722 -177.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 46.5 m -54.12 -46.49 72.18 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.257 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.511 ' SD ' ' HG3' ' B' ' 18' ' ' MET . 16.6 mmt -63.67 -45.02 92.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 111.017 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 22.0 ttm -65.93 -31.33 72.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.416 -176.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -89.7 -13.19 37.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.602 0.239 . . . . 0.0 111.463 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -94.56 -45.66 7.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.006 0.432 . . . . 0.0 111.264 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.577 HG21 ' HB ' ' B' ' 8' ' ' ILE . 62.6 p -108.4 -40.02 5.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.968 0.413 . . . . 0.0 111.142 -177.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 125.07 -7.12 8.17 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 49.9 m -150.45 159.3 44.58 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.414 HG23 ' HA ' ' B' ' 98' ' ' ARG . 3.0 p -88.82 114.92 27.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.206 0.527 . . . . 0.0 111.077 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -68.27 106.32 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.016 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -75.78 -28.14 58.29 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.854 -175.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.41 86.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.008 0.432 . . . . 0.0 110.619 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.435 ' O ' HG23 ' B' ' 116' ' ' VAL . 78.1 t80 -69.41 -50.75 42.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.286 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.676 ' HA ' HD23 ' B' ' 97' ' ' LEU . 19.3 m -56.45 -40.01 74.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.994 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -68.19 -44.49 75.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.785 0.326 . . . . 0.0 110.549 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.78 -45.62 93.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.158 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.465 HG21 HD21 ' B' ' 97' ' ' LEU . 91.5 t -57.34 -37.89 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 111.24 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' B' ' 121' ' ' LYS . 30.0 mmt -68.12 -34.2 75.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.783 -178.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -78.76 -37.42 41.14 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.412 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' B' ' 116' ' ' VAL . 12.6 mt -56.48 -48.9 76.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.204 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.57 -33.79 58.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.509 -175.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' B' ' 117' ' ' MET . 53.2 mtpt -79.5 -25.5 41.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.522 0.201 . . . . 0.0 110.986 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 42.6 ttp -67.93 -37.86 82.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.961 0.41 . . . . 0.0 110.058 175.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.04 -18.31 61.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.273 0.559 . . . . 0.0 109.993 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 21.5 t -104.2 14.77 29.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.4 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -84.65 30.5 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.594 0.711 . . . . 0.0 111.373 -175.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -78.82 108.86 12.57 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.451 178.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 29.5 t -80.17 138.51 36.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.119 178.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -95.45 16.7 16.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.727 -173.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -76.1 72.59 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.381 0.61 . . . . 0.0 109.809 177.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -99.9 117.79 34.96 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.711 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 35.2 m -84.12 8.35 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.735 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 1.4 m -80.91 80.84 7.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.062 177.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.647 -0.692 . . . . 0.0 110.573 -179.482 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.783 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 p -85.63 -56.98 3.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.9 0.381 . . . . 0.0 110.645 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 124.83 -132.48 8.16 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.578 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -124.18 9.58 8.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.836 0.827 . . . . 0.0 109.04 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 8.5 t -154.74 175.45 13.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.694 178.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 5' ' ' SER . 10.3 mm100 72.97 127.02 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.283 0 O-C-N 123.925 0.766 . . . . 0.0 112.479 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 26.7 Cg_exo -62.39 156.92 48.61 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.755 2.304 . . . . 0.0 111.283 174.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.527 ' CG2' HG21 ' A' ' 105' ' ' THR . 9.1 pt -74.62 4.01 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -173.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -81.44 22.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.9 m -74.49 -26.42 59.99 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 173.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -128.57 131.98 24.08 Favored Pre-proline 0 C--O 1.233 0.222 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.11 175.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -69.82 -34.04 15.19 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.78 2.32 . . . . 0.0 113.045 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -81.97 -30.49 31.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.982 0.42 . . . . 0.0 109.96 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.71 -48.26 80.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.469 175.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HA ' HD12 ' A' ' 8' ' ' ILE . . . -65.64 -34.81 79.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.99 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.0 ttm -57.09 -31.26 65.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.279 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.6 m -61.9 -36.72 82.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.041 0.448 . . . . 0.0 110.396 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.413 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -67.73 -39.82 84.24 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.421 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -45.58 89.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.587 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.451 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 93.7 m-20 -60.05 -47.08 87.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.857 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -61.2 -37.55 83.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.754 -178.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.749 HD21 HD12 ' A' ' 97' ' ' LEU . 31.5 mt -60.91 -42.12 97.46 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.674 0.274 . . . . 0.0 111.206 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.27 -38.42 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.925 0.393 . . . . 0.0 110.244 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.496 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 96.9 mt-30 -64.7 -47.52 78.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.071 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.45 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 29.7 p -71.75 -34.66 69.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.704 0.288 . . . . 0.0 110.762 -178.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.8 -44.7 92.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.014 0.435 . . . . 0.0 110.777 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -65.86 -31.03 71.75 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.709 -176.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 5.1 ptm180 -90.34 -7.55 53.01 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.5 p -75.36 -50.52 15.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.558 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.59 8.7 76.61 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.846 -177.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.465 HG12 HG22 ' A' ' 89' ' ' VAL . 15.4 t -85.61 -37.27 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.158 0.504 . . . . 0.0 110.688 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 32' ' ' LEU . 6.2 mp -82.8 156.05 23.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.516 -174.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.0 p -89.88 178.91 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.702 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.59 96.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.462 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -54.83 -50.89 67.49 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.97 176.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -65.7 -43.63 88.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.877 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.0 mmm -66.29 -35.83 81.39 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.486 ' OD2' ' HE1' ' B' ' 61' ' ' HIS . 33.1 t70 -70.82 -35.42 72.48 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -63.16 -48.52 78.08 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.163 0.506 . . . . 0.0 109.898 173.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.6 mmm -58.86 -40.35 84.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.524 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.06 -45.42 96.61 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.895 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.434 ' SD ' ' HD3' ' B' ' 62' ' ' ARG . 51.3 ttp -60.34 -34.91 74.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.494 0.187 . . . . 0.0 110.869 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.589 ' O ' HG23 ' A' ' 47' ' ' VAL . 45.8 ttp -59.44 -53.83 53.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.943 0.401 . . . . 0.0 110.801 178.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.72 -33.28 75.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.207 0.527 . . . . 0.0 110.519 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.36 -43.58 85.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.0 p -65.41 -39.29 91.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.981 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 43' ' ' MET . 34.5 t -58.58 -50.74 77.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.904 0.383 . . . . 0.0 109.999 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -64.77 -39.95 94.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.9 m -65.28 -45.01 86.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.308 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.653 ' OE1' ' HB3' ' B' ' 46' ' ' SER . 11.0 mt-30 -75.85 -29.53 58.62 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.456 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.483 ' HB2' ' O ' ' A' ' 47' ' ' VAL . 5.5 tmm? -56.38 -47.25 79.31 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.028 0.442 . . . . 0.0 110.04 173.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -78.71 -26.69 44.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.417 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HB2' ' HA ' ' A' ' 50' ' ' GLN . 24.9 mtpp -61.48 -43.96 97.93 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.057 0.456 . . . . 0.0 110.429 172.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 75.0 mtm -75.14 -39.1 60.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.313 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.15 -161.17 26.45 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.248 175.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.06 134.79 30.38 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.71 2.274 . . . . 0.0 111.804 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.0 m120 57.29 73.46 0.78 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.891 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -81.62 162.69 19.1 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.46 2.107 . . . . 0.0 112.489 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.0 141.51 58.36 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.417 2.078 . . . . 0.0 111.604 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -82.73 -18.63 40.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.469 -172.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.872 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 35.0 p80 -73.38 -30.36 63.24 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.404 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.544 ' O ' ' HG2' ' A' ' 66' ' ' MET . 72.2 mtt180 -71.81 -26.12 62.28 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.246 173.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.6 mt -72.02 -38.54 69.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.674 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.872 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 11.7 ptt180 -62.17 -37.14 84.13 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.525 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -68.97 -36.9 78.41 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.875 177.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.544 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 93.3 mmm -65.12 -32.23 73.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.603 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -52.42 -61.16 2.46 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.104 0.478 . . . . 0.0 111.033 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.57 HG22 ' HB1' ' B' ' 72' ' ' ALA . 95.4 m -73.2 -23.64 60.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.98 -57.5 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 175.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.3 ttt -57.25 -46.02 83.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.645 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.82 -46.29 91.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.622 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.535 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -69.74 -34.79 74.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.441 -176.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 48.9 mt-10 -63.91 -44.59 92.5 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.472 178.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.447 HG23 ' SD ' ' A' ' 43' ' ' MET . 68.2 t -59.23 -48.09 88.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 121.067 0.46 . . . . 0.0 110.523 175.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.38 93.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.065 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.933 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 33.8 tp10 -58.95 -47.94 83.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.575 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 73' ' ' GLU . 71.5 t -54.38 -50.72 55.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.544 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.418 HG22 HG12 ' A' ' 89' ' ' VAL . 59.4 t -67.7 -43.99 86.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.821 -178.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.37 -26.01 68.28 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -176.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.529 HG21 ' HD2' ' B' ' 64' ' ' ARG . 2.7 m -96.84 28.28 3.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.499 0.666 . . . . 0.0 110.812 -177.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.482 ' HB2' ' HA ' ' A' ' 86' ' ' TYR . 32.0 m -84.68 156.05 61.79 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.464 173.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 85' ' ' SER . 37.1 Cg_exo -57.53 152.38 48.19 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 121.724 1.616 . . . . 0.0 110.159 171.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -55.12 -32.46 79.93 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.167 1.911 . . . . 0.0 111.709 -176.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -82.12 -9.94 59.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.013 -177.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.463 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 33.0 t -119.96 -14.11 8.95 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -173.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.482 ' HA ' ' HB2' ' A' ' 81' ' ' SER . 43.3 t80 -49.53 -59.99 3.26 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.217 0.532 . . . . 0.0 111.501 -178.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 m -59.54 -37.72 79.14 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.603 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.84 -47.35 72.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.979 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.465 HG22 HG12 ' A' ' 31' ' ' VAL . 61.5 t -65.2 -40.92 90.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.077 0.465 . . . . 0.0 109.954 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.11 -52.81 64.01 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.772 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -58.61 -39.01 79.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.094 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 73.1 m -61.87 -49.58 75.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.62 -178.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.5 mm -66.76 -47.11 83.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.301 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.73 -29.63 74.46 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.683 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.49 -41.6 32.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.789 0.328 . . . . 0.0 110.349 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 53.7 t -66.7 -37.68 85.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.674 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.749 HD12 HD21 ' A' ' 22' ' ' LEU . 2.3 mp -48.58 -48.78 38.73 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 111.328 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.482 ' HG3' HG21 ' A' ' 108' ' ' VAL . 61.2 ttt180 -61.21 -48.51 81.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.235 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -70.76 -44.2 67.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.058 -176.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.8 m -55.29 -42.23 73.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.425 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.501 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 10.0 mmt -63.81 -42.21 97.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.344 . . . . 0.0 110.941 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 32.9 ttm -72.17 -28.91 63.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.332 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -80.41 -34.19 36.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.917 0.389 . . . . 0.0 110.726 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.08 -48.95 40.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.351 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.527 HG21 ' CG2' ' A' ' 8' ' ' ILE . 62.0 p -111.96 -47.84 3.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.111 0.481 . . . . 0.0 111.332 -175.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 136.39 -14.39 3.97 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 48.9 m -139.26 156.7 46.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.501 ' HA ' ' HB3' ' A' ' 101' ' ' MET . 3.5 p -92.22 117.29 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.17 0.51 . . . . 0.0 111.223 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -79.0 135.86 37.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.214 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -93.14 -23.91 18.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.657 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.56 -45.59 89.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.612 0.244 . . . . 0.0 111.371 -174.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.428 ' O ' HG23 ' A' ' 116' ' ' VAL . 78.9 t80 -75.1 -49.88 18.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.789 0.328 . . . . 0.0 110.615 177.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.607 ' HA ' HD23 ' A' ' 97' ' ' LEU . 30.2 m -57.34 -45.35 84.39 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.504 -176.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -64.73 -43.26 93.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.964 0.411 . . . . 0.0 110.498 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -58.54 -44.31 89.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.745 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.448 ' HA ' HD12 ' A' ' 119' ' ' LEU . 55.1 t -60.15 -38.04 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 178.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.575 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 18.9 mmt -70.52 -38.62 74.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.335 -176.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -73.21 -36.71 66.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.41 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.532 HD23 ' HE1' ' B' ' 122' ' ' MET . 15.6 mt -58.03 -51.23 70.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.883 177.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.8 -30.85 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.806 -173.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 117' ' ' MET . 66.4 mttm -66.23 -45.31 81.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.211 0.529 . . . . 0.0 109.802 175.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.516 ' HE1' HD23 ' B' ' 119' ' ' LEU . 47.8 ttp -68.71 -41.96 78.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.155 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.25 -21.57 65.28 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 111.515 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.6 t -84.58 -2.43 57.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.275 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -132.84 116.36 16.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.91 0.386 . . . . 0.0 111.581 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -111.27 143.16 42.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.025 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.1 m -77.69 54.7 1.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.44 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -100.56 21.0 13.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.605 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -78.06 143.71 37.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.312 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.49 106.61 3.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.9 0.381 . . . . 0.0 110.767 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 30.8 m -106.22 -30.54 2.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.721 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.6 t -172.17 154.93 3.5 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.32 -0.69 0 CA-C-O 120.618 0.247 . . . . 0.0 110.56 178.844 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.445 0 N-CA-C 112.342 -0.303 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.6 p -105.01 -45.24 4.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.048 0.452 . . . . 0.0 110.716 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 154.7 171.65 21.71 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -107.44 14.79 25.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.572 0.701 . . . . 0.0 110.12 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' B' ' 6' ' ' GLN . 8.9 t -156.03 164.37 38.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.506 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' B' ' 5' ' ' SER . 28.1 mm-40 72.83 146.45 0.11 Allowed Pre-proline 0 CA--C 1.53 0.206 0 O-C-N 124.226 0.953 . . . . 0.0 112.328 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -62.76 144.25 93.44 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.644 2.229 . . . . 0.0 112.257 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.499 HG21 HG21 ' B' ' 105' ' ' THR . 25.1 pt -82.18 16.14 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.058 -175.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -83.45 51.93 2.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.288 0.566 . . . . 0.0 111.729 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 22.2 p -100.27 -49.45 4.26 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.36 171.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -104.46 123.8 39.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.543 175.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -65.32 -27.15 55.67 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.715 2.277 . . . . 0.0 112.44 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -72.42 -39.59 67.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.62 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.12 -45.35 73.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.891 0.377 . . . . 0.0 110.736 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.32 90.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.08 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -63.33 -30.01 71.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.812 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 86.7 m -65.28 -35.62 81.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.589 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.442 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.82 -40.57 96.93 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.277 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -63.88 -46.05 86.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.87 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -66.54 -42.65 86.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.138 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -59.8 -37.14 78.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.05 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.767 HD21 HD12 ' B' ' 97' ' ' LEU . 49.0 mt -61.56 -42.23 98.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.903 177.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.51 -37.92 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.992 0.425 . . . . 0.0 110.358 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.35 -52.25 62.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.214 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 0.462 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 29.3 p -68.78 -37.63 79.45 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.941 -177.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.09 -43.89 97.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.965 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 41.2 t -65.72 -41.51 92.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.462 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 1.2 ptm180 -83.18 -6.46 59.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.762 -175.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.489 ' OG ' HG12 ' B' ' 31' ' ' VAL . 97.0 p -80.6 -42.13 22.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.132 0.491 . . . . 0.0 110.312 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.57 4.81 87.37 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.266 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.737 HG13 HD12 ' B' ' 32' ' ' LEU . 11.3 p -88.53 -22.0 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.628 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.737 HD12 HG13 ' B' ' 31' ' ' VAL . 6.5 mp -95.36 151.41 19.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 175.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 73.2 p -93.41 171.96 8.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.403 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.82 -31.78 71.17 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.725 0.298 . . . . 0.0 110.547 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.97 -58.6 7.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.815 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.579 ' HB3' HG13 ' B' ' 77' ' ' VAL . 48.7 mt-30 -60.96 -39.79 90.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 81.4 mmm -67.05 -30.91 71.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.847 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.465 ' OD2' ' HE1' ' A' ' 61' ' ' HIS . 27.4 t70 -73.41 -36.03 65.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -66.99 -43.85 81.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.905 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.426 ' O ' ' HB3' ' B' ' 43' ' ' MET . 72.5 mmm -57.64 -42.89 84.34 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.281 0.562 . . . . 0.0 110.237 173.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.67 -40.17 97.28 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.18 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 50.9 ttp -63.37 -34.06 76.89 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-O 120.769 0.319 . . . . 0.0 110.434 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' MET . . . . . 0.499 ' O ' HG23 ' B' ' 47' ' ' VAL . 41.0 ttp -59.02 -50.3 74.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.038 0.447 . . . . 0.0 110.453 175.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.25 83.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.741 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -68.78 -43.29 76.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.619 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.653 ' HB3' ' OE1' ' A' ' 50' ' ' GLN . 12.5 p -62.29 -47.77 82.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.065 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 43' ' ' MET . 38.3 t -59.01 -40.92 81.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.936 0.398 . . . . 0.0 110.284 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -65.32 -47.59 76.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.422 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' B' ' 52' ' ' GLN . 53.2 m -65.19 -46.64 79.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.172 -177.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -66.22 -32.14 73.38 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.142 -0.223 . . . . 0.0 111.182 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' MET . . . . . 0.421 ' HB2' ' O ' ' B' ' 47' ' ' VAL . 4.5 tmm? -57.49 -53.0 63.08 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.062 0.458 . . . . 0.0 110.623 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' B' ' 49' ' ' SER . 7.6 pt20 -73.13 -19.64 61.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.217 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -74.39 -27.92 60.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.211 173.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.5 mtm -83.41 -38.3 22.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.835 0.35 . . . . 0.0 110.632 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.67 -130.92 10.52 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.531 -0.842 . . . . 0.0 113.531 171.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.0 117.39 5.12 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 123.02 2.48 . . . . 0.0 112.989 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 15.1 m120 49.51 78.69 0.39 Allowed Pre-proline 0 N--CA 1.466 0.374 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.509 177.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -54.96 148.1 48.99 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.649 2.232 . . . . 0.0 113.792 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -69.13 123.94 10.83 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.419 2.746 . . . . 0.0 111.668 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.501 ' HA ' ' CG ' ' B' ' 63' ' ' LEU . 30.0 pt20 -72.53 -6.54 44.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -176.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.823 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 33.9 p80 -75.19 -34.24 61.5 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.233 170.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.434 ' HD3' ' SD ' ' A' ' 42' ' ' MET . 72.9 mtt180 -72.68 -28.56 62.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 173.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.501 ' CG ' ' HA ' ' B' ' 60' ' ' GLN . 89.6 mt -67.0 -41.58 86.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.663 175.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.823 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 21.3 ptt180 -61.76 -36.72 81.85 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.933 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -68.34 -42.37 79.39 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.484 177.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.521 ' HA ' ' HB3' ' B' ' 69' ' ' ALA . 96.7 mmm -71.53 -24.52 61.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.34 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -54.11 -55.36 28.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.175 0.512 . . . . 0.0 110.218 174.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.535 HG22 ' HB1' ' A' ' 72' ' ' ALA . 84.8 m -76.33 -24.32 54.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.817 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.566 ' O ' ' HG2' ' B' ' 73' ' ' GLU . . . -62.76 -55.27 28.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.76 0.314 . . . . 0.0 110.154 174.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.5 ttt -57.78 -46.86 83.99 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.653 177.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.5 92.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.199 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.57 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -71.4 -33.82 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.328 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' B' ' 69' ' ' ALA . 9.1 mm-40 -61.8 -50.47 72.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.682 0.277 . . . . 0.0 110.272 177.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.493 ' O ' HG23 ' B' ' 78' ' ' VAL . 88.8 t -58.28 -46.01 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.275 176.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.53 96.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.187 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.525 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 6.3 tp10 -62.69 -45.2 93.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.902 0.382 . . . . 0.0 110.23 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.579 HG13 ' HB3' ' B' ' 36' ' ' GLN . 67.7 t -59.03 -38.44 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.202 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 74' ' ' VAL . 59.3 t -80.59 -45.07 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.407 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.24 -43.33 82.2 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 7.6 m -85.66 69.47 10.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.465 0.65 . . . . 0.0 110.185 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 15.5 m -136.93 164.17 44.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.336 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.47 144.35 73.75 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.062 1.841 . . . . 0.0 110.983 173.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.72 -16.25 53.63 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.449 2.099 . . . . 0.0 112.136 -173.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -91.18 -6.97 52.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.162 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -121.79 -15.07 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.474 -174.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -47.74 -64.68 0.72 Allowed 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 49.7 m -64.85 -26.41 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.643 -175.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.68 -48.79 63.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.001 0.429 . . . . 0.0 110.294 178.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.477 HG12 HG22 ' B' ' 78' ' ' VAL . 59.1 t -64.22 -40.74 90.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.869 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.31 -52.38 65.58 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.909 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -57.84 -39.43 77.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.035 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 59.8 m -64.28 -48.42 75.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.616 -177.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.8 mm -65.78 -46.47 88.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.238 178.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.59 -39.21 96.17 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.702 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.26 -40.28 67.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.719 0.295 . . . . 0.0 110.959 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 48.9 t -69.58 -33.31 72.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.799 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.767 HD12 HD21 ' B' ' 22' ' ' LEU . 0.8 OUTLIER -50.66 -45.33 57.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.405 177.837 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.514 ' HG3' HG21 ' B' ' 108' ' ' VAL . 58.2 ttt180 -62.87 -43.04 99.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.627 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.66 -49.74 50.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 73.2 m -51.38 -43.45 61.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.644 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.478 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 10.7 mmt -64.97 -46.67 80.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.034 0.445 . . . . 0.0 110.912 177.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 25.4 ttm -68.96 -27.48 65.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.541 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -93.66 -6.5 46.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.566 0.222 . . . . 0.0 111.278 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.13 -48.4 5.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.771 0.319 . . . . 0.0 111.132 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.499 HG21 HG21 ' B' ' 8' ' ' ILE . 74.4 p -108.23 -38.3 5.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.398 0.618 . . . . 0.0 110.945 -178.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.78 -21.97 5.53 Favored Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.171 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 17.9 m -130.74 159.88 35.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.514 HG21 ' HG3' ' B' ' 98' ' ' ARG . 5.8 p -100.05 121.24 50.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.151 0.501 . . . . 0.0 111.538 -177.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.11 137.23 34.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.15 173.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -94.7 -23.06 17.73 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.356 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.83 -55.59 28.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.798 0.332 . . . . 0.0 110.738 -175.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.48 ' O ' HG23 ' B' ' 116' ' ' VAL . 83.2 t80 -66.19 -44.13 84.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.335 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.565 ' HA ' HD23 ' B' ' 97' ' ' LEU . 46.6 m -59.66 -46.65 88.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.31 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -66.81 -40.41 88.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -57.45 -47.92 80.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.764 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 112' ' ' PHE . 58.2 t -60.0 -37.31 71.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.066 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 17.7 mmt -68.71 -38.91 80.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -75.12 -35.56 61.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.42 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.516 HD23 ' HE1' ' A' ' 122' ' ' MET . 13.3 mt -59.22 -51.71 68.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.113 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 p -65.72 -31.1 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.617 -174.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -69.38 -40.51 77.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.085 0.469 . . . . 0.0 110.337 177.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.532 ' HE1' HD23 ' A' ' 119' ' ' LEU . 47.9 ttp -72.0 -42.66 66.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.784 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.11 -27.67 69.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.818 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 32.1 t -98.93 6.26 46.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.389 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -146.12 89.63 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.466 -0.494 . . . . 0.0 112.062 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -85.44 106.81 17.07 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 172.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 19.7 m -87.77 99.35 12.03 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.433 -173.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -169.36 77.16 0.1 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.987 177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -71.8 160.71 32.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.869 177.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -80.43 81.5 6.67 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.255 0.55 . . . . 0.0 111.839 -173.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 19.0 m -84.48 -30.06 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.448 174.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 23.7 m -117.61 125.1 50.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.04 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--O 1.253 1.279 0 CA-C-O 119.286 -0.388 . . . . 0.0 110.017 177.551 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 107' ' ' SER . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 112.187 -0.365 . . . . 0.0 112.187 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.2 m -156.79 134.95 11.2 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.483 ' O ' ' HB3' ' A' ' 110' ' ' ASN . . . 100.69 -34.01 5.93 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.039 -175.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -175.26 148.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 171.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 m -152.54 -178.83 7.1 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -89.28 138.1 28.91 Favored Pre-proline 0 C--N 1.315 -0.935 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.3 120.25 0.85 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.34 2.693 . . . . 0.0 112.965 -177.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.4 pt -73.44 12.88 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.018 -174.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.441 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 60.4 m95 -80.66 10.47 4.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.871 -177.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 m -64.08 -29.94 71.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.509 0.671 . . . . 0.0 109.24 172.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.408 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 49.8 t-20 -115.03 116.25 42.64 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.872 175.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -69.46 -21.15 35.31 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.832 2.354 . . . . 0.0 112.471 -174.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -85.61 -44.11 12.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.054 0.454 . . . . 0.0 109.792 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.408 ' HB3' ' HB3' ' A' ' 11' ' ' ASN . . . -65.19 -41.61 94.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.927 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' A' ' 9' ' ' TRP . . . -64.43 -40.49 95.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.389 177.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 40.9 ttm -63.24 -27.15 69.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.419 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.1 m -65.18 -40.59 94.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.268 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.418 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -62.32 -40.66 97.07 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.477 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -61.64 -46.34 90.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.874 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -70.31 -40.14 74.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.219 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -59.44 -36.89 76.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.619 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.808 HD21 HD12 ' A' ' 97' ' ' LEU . 40.0 mt -60.34 -48.08 83.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.784 176.29 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.82 -42.41 92.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.704 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -63.54 -43.42 97.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.726 177.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.519 ' HA ' ' HD2' ' A' ' 28' ' ' ARG . 19.4 t -69.21 -36.97 77.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.875 -178.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.36 -38.61 81.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.154 0.502 . . . . 0.0 110.612 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.6 t -67.81 -38.94 83.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.118 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.519 ' HD2' ' HA ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER -76.78 -17.83 58.8 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.994 -177.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 p -90.17 -49.24 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.712 0.291 . . . . 0.0 110.554 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.83 22.39 64.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.032 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.443 HG12 HG22 ' A' ' 89' ' ' VAL . 11.5 t -81.72 -25.33 9.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.238 0.542 . . . . 0.0 110.159 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 32' ' ' LEU . 5.8 mp -90.25 156.41 18.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.726 -176.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.8 p -86.74 178.67 6.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.734 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.06 97.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.09 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.506 ' OD1' ' HB3' ' B' ' 61' ' ' HIS . 17.8 t70 -64.99 -39.82 94.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.509 -178.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 55.1 mt-30 -66.97 -46.88 73.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 177.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 83.7 mmm -64.77 -41.74 95.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.64 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -65.71 -32.37 73.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.007 0.432 . . . . 0.0 110.207 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.74 -46.58 78.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.242 0.544 . . . . 0.0 109.816 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 43.8 mmm -59.3 -39.38 82.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.338 175.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.45 -49.01 73.26 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.576 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.4 ptt? -70.81 -23.62 62.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.962 0.381 . . . . 0.0 110.225 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 43.5 ttp -59.69 -53.57 56.5 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.082 0.468 . . . . 0.0 109.852 174.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.07 92.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.783 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.61 -37.94 89.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.3 m -60.62 -44.96 95.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.9 t -67.61 -40.96 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.341 0.591 . . . . 0.0 110.241 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -63.25 -46.67 85.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.922 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.45 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 13.2 p -64.72 -45.21 87.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.525 -175.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -59.01 -44.98 91.77 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.782 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -55.37 -46.22 76.51 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.773 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -69.25 -34.25 74.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.23 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 49' ' ' SER . 26.3 mtpp -72.7 -39.03 67.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.186 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.673 ' SD ' ' HD3' ' A' ' 62' ' ' ARG . 74.2 mtm -75.98 -41.29 51.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 178.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.97 -150.34 21.43 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.463 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.18 142.27 27.13 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.724 2.283 . . . . 0.0 112.16 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 61.15 72.64 0.67 Allowed Pre-proline 0 N--CA 1.467 0.4 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.391 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -87.52 161.71 8.04 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.981 2.454 . . . . 0.0 112.143 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.423 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 28.0 Cg_endo -63.16 123.14 11.66 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.902 2.401 . . . . 0.0 111.869 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.499 ' OE1' HD12 ' A' ' 63' ' ' LEU . 13.4 mm-40 -65.57 -29.13 69.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.95 -174.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -69.08 -26.41 64.93 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.077 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.673 ' HD3' ' SD ' ' A' ' 54' ' ' MET . 59.2 ttt180 -76.02 -30.74 58.59 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.499 HD12 ' OE1' ' A' ' 60' ' ' GLN . 67.2 mt -71.64 -36.08 70.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.514 173.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.73 HH11 ' HG2' ' A' ' 64' ' ' ARG . 22.5 ttp85 -57.97 -43.48 86.5 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.08 171.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.621 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -62.19 -47.94 82.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.61 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.461 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 99.1 mmm -68.88 -21.66 64.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.464 -176.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 64' ' ' ARG . 15.1 t-20 -58.82 -50.0 75.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.108 0.48 . . . . 0.0 110.233 172.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.494 HG22 ' HB1' ' B' ' 72' ' ' ALA . 6.2 m -69.97 -38.43 76.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.303 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.68 -50.31 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.22 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.7 ttt -59.82 -45.74 91.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.23 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.87 95.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.172 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.47 94.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.801 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.601 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 16.8 mm-40 -60.63 -54.88 40.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.561 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 78' ' ' VAL . 61.1 t -55.12 -44.54 74.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.966 0.412 . . . . 0.0 110.723 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.72 92.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.473 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -71.53 -28.13 63.67 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.343 -178.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 73' ' ' GLU . 44.1 t -62.14 -48.14 89.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 172.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 74' ' ' VAL . 67.6 t -66.02 -42.37 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.011 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.24 -26.92 68.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.713 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.7 m -87.28 76.37 9.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.191 0.52 . . . . 0.0 110.232 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.5 p -160.67 164.12 19.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.674 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -62.0 137.04 64.63 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.254 1.97 . . . . 0.0 110.98 173.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.07 -13.01 37.92 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.619 2.213 . . . . 0.0 112.373 -172.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -82.32 -14.7 54.92 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.934 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.0 t -126.51 2.76 6.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.135 0.493 . . . . 0.0 110.491 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -59.52 -41.55 90.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.163 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 t -67.17 -34.22 77.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.277 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.43 65.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.545 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.443 HG22 HG12 ' A' ' 31' ' ' VAL . 48.0 t -62.02 -42.88 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.302 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.72 -53.02 62.5 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.68 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -57.92 -35.74 71.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.962 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.5 m -64.27 -54.6 30.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.376 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.482 HG23 HD13 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -60.0 -43.16 91.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.894 177.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.09 -41.95 94.86 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.188 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.22 68.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.692 0.282 . . . . 0.0 110.803 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.434 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 73.1 m -65.23 -29.59 70.4 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.171 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.808 HD12 HD21 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -56.69 -47.16 80.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.142 0.496 . . . . 0.0 110.265 176.344 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.419 ' HG3' HG11 ' A' ' 108' ' ' VAL . 33.5 ttt180 -59.43 -51.57 69.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.998 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.434 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 7.3 pt-20 -75.89 -27.19 57.61 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -175.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.8 m -61.2 -41.68 97.25 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.252 175.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.1 mmt -67.39 -40.34 85.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.078 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.8 tpp -61.75 -39.86 93.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.211 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 15.5 mm100 -79.79 -25.92 40.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.75 0.309 . . . . 0.0 111.051 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.43 -64.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -176.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 61.4 p -96.29 -25.9 15.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.91 0.386 . . . . 0.0 110.919 -175.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.3 4.2 58.49 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -175.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.445 ' HB3' ' O ' ' A' ' 1' ' ' GLY . 50.2 m -138.54 144.3 39.84 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.419 HG11 ' HG3' ' A' ' 98' ' ' ARG . 58.7 t -88.54 104.48 14.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.797 0.332 . . . . 0.0 111.25 -178.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -80.99 131.18 35.29 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 170.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.483 ' HB3' ' O ' ' A' ' 3' ' ' GLY . 8.0 t30 -106.91 -4.9 18.65 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.87 -53.39 18.26 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.426 ' O ' HG23 ' A' ' 116' ' ' VAL . 85.4 t80 -66.02 -42.01 90.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.156 175.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.59 ' HA ' HD23 ' A' ' 97' ' ' LEU . 69.2 m -58.53 -48.8 79.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.55 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -65.92 -38.7 89.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.758 0.314 . . . . 0.0 110.283 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.3 -46.87 76.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.597 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 112' ' ' PHE . 61.2 t -64.58 -34.79 72.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 28.3 mmt -70.32 -34.68 72.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.135 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -74.05 -39.43 63.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.96 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 116' ' ' VAL . 12.4 mt -58.09 -54.99 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.098 178.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.52 -30.76 50.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.391 -174.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -74.47 -34.78 63.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.694 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 43.6 ttp -66.51 -43.03 86.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.758 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -67.76 -21.99 65.23 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.967 0.413 . . . . 0.0 110.851 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.9 t -95.26 3.33 54.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.402 -176.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -135.8 96.13 3.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.011 0.434 . . . . 0.0 111.166 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -81.5 122.21 27.26 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.234 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 27.6 p -78.38 80.0 4.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.441 0.638 . . . . 0.0 110.777 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -101.79 18.93 19.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.248 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -76.52 94.87 3.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.987 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.55 154.77 20.4 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.056 0.455 . . . . 0.0 110.943 -177.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 15.4 m -129.55 23.92 2.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.441 175.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 17.0 m -82.34 92.74 7.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.726 -175.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.956 176.793 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.506 0 N-CA-C 111.983 -0.447 . . . . 0.0 111.983 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.56 ' HA ' ' HB ' ' B' ' 108' ' ' VAL . 14.7 m -114.27 114.59 26.16 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.88 -105.4 0.2 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.907 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -135.36 147.89 49.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.064 0.459 . . . . 0.0 110.035 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 40.9 m -137.29 176.91 8.28 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -84.82 143.79 41.03 Favored Pre-proline 0 C--N 1.314 -0.956 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 173.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -35.01 111.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.818 3.012 . . . . 0.0 113.38 -174.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' B' ' 15' ' ' ALA . 1.4 pt -68.28 -1.23 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.708 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.781 ' HA ' ' HB2' ' B' ' 15' ' ' ALA . 49.6 m95 -75.43 10.39 1.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.379 178.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.7 m -57.33 -34.14 68.45 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.395 0.617 . . . . 0.0 110.162 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.562 ' HB2' ' HB3' ' B' ' 14' ' ' ALA . 2.3 m-20 -113.82 124.32 31.3 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 171.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -64.44 -32.43 60.16 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.639 2.226 . . . . 0.0 112.441 -175.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -81.5 -39.8 24.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.838 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' B' ' 11' ' ' ASN . . . -63.95 -42.33 97.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.689 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.781 ' HB2' ' HA ' ' B' ' 9' ' ' TRP . . . -65.83 -41.4 91.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.134 0.493 . . . . 0.0 110.685 176.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 47.4 ttm -61.03 -25.96 67.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.83 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 42.2 m -64.08 -39.59 94.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.195 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.97 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -62.55 -43.95 97.54 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.013 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -62.63 -44.01 97.37 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -71.31 -45.8 62.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.731 -177.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -65.05 -30.51 71.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.756 0.312 . . . . 0.0 110.519 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.768 HD11 HD12 ' B' ' 97' ' ' LEU . 12.8 tp -59.45 -47.58 84.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.205 177.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.529 HG22 ' HB3' ' B' ' 40' ' ' MET . 61.9 t -64.79 -40.81 90.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.545 178.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -63.53 -36.48 83.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.086 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 49.3 t -69.09 -40.27 78.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.878 0.371 . . . . 0.0 110.364 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.69 -33.93 74.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.517 0.675 . . . . 0.0 110.67 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 34.3 t -67.59 -34.95 78.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.325 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -89.13 -10.71 46.23 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.4 ' HB2' HG23 ' B' ' 31' ' ' VAL . 18.1 p -89.58 -41.92 11.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.014 0.435 . . . . 0.0 110.195 177.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.79 18.87 79.68 Favored Glycine 0 C--N 1.33 0.218 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.117 174.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' B' ' 29' ' ' SER . 14.0 t -78.95 -28.97 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.367 0.603 . . . . 0.0 110.292 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.457 ' N ' HD12 ' B' ' 32' ' ' LEU . 6.0 mp -86.47 156.57 20.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.01 -173.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 55.0 p -86.94 177.85 7.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.749 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.23 96.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.61 -47.06 85.42 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.24 0.543 . . . . 0.0 109.882 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.612 ' HB3' HG13 ' B' ' 77' ' ' VAL . 53.0 mt-30 -63.65 -47.9 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.149 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 82.3 mmm -65.49 -38.91 91.15 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -70.45 -30.27 67.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.831 0.348 . . . . 0.0 110.261 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.462 ' HB3' HG22 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -65.33 -43.73 90.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.572 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.529 ' HB3' HG22 ' B' ' 23' ' ' VAL . 63.3 mmm -61.81 -47.61 84.33 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.697 176.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.91 -41.06 99.61 Favored Glycine 0 C--N 1.331 0.265 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.052 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -61.4 -42.98 99.59 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.725 0.298 . . . . 0.0 110.508 176.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' MET . . . . . 0.522 ' O ' HG23 ' B' ' 47' ' ' VAL . 47.3 ttp -52.71 -54.0 39.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.79 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.35 79.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.337 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.32 -39.03 71.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.005 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -66.56 -37.85 85.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.885 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.543 ' O ' ' HG2' ' B' ' 51' ' ' MET . 42.6 t -65.79 -40.48 87.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -65.15 -53.15 49.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.186 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 13.1 p -62.89 -41.18 99.32 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.824 -175.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -64.03 -32.81 74.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.576 0.227 . . . . 0.0 111.06 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' B' ' 47' ' ' VAL . 83.4 mmm -75.41 -25.4 57.55 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.771 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -69.07 -37.4 78.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.232 0.539 . . . . 0.0 109.81 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -66.35 -50.31 64.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.894 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.6 mtm -87.17 -39.51 15.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.86 -173.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.4 -164.68 43.91 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.126 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -69.59 155.84 65.4 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.584 2.189 . . . . 0.0 112.125 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 61.61 74.47 0.5 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.881 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -96.78 178.94 0.49 Allowed 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.439 2.76 . . . . 0.0 110.96 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.664 ' O ' ' HB3' ' B' ' 62' ' ' ARG . 19.4 Cg_endo -63.62 147.43 92.85 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 121.653 1.568 . . . . 0.0 110.996 172.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -65.91 -37.28 85.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.784 0.326 . . . . 0.0 111.607 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.515 ' HA ' ' HB3' ' B' ' 64' ' ' ARG . 13.9 p80 -66.92 -20.92 65.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.636 0.255 . . . . 0.0 110.672 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.664 ' HB3' ' O ' ' B' ' 59' ' ' PRO . 20.6 tpt180 -58.03 -45.22 87.3 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.462 HD13 ' O ' ' B' ' 9' ' ' TRP . 49.6 mt -73.06 -40.2 65.26 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.976 178.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.515 ' HB3' ' HA ' ' B' ' 61' ' ' HIS . 57.7 ttp85 -56.17 -46.76 79.22 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.454 178.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.41 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -75.0 -44.21 49.45 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -176.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 99.4 mmm -62.1 -26.91 68.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.173 -176.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -55.55 -51.52 66.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.107 0.48 . . . . 0.0 109.901 172.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.472 HG21 ' HB3' ' A' ' 76' ' ' GLU . 7.5 m -69.21 -39.03 78.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.698 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -58.75 -50.24 74.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.99 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 21.9 ttt -58.72 -45.71 88.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.193 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.37 94.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.402 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.494 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -64.8 -37.34 87.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' B' ' 76' ' ' GLU . 45.6 mt-10 -63.94 -39.59 94.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.901 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.82 -44.3 85.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.99 0.424 . . . . 0.0 110.955 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.42 99.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.54 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.621 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 17.3 pt-20 -64.15 -35.78 81.88 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.612 HG13 ' HB3' ' B' ' 36' ' ' GLN . 46.7 t -60.99 -46.45 96.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.316 177.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 56.9 t -65.9 -43.81 92.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.886 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.53 -25.98 66.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.987 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 21.8 m -86.57 73.77 10.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.445 0.64 . . . . 0.0 110.505 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 78.8 p -162.96 159.86 18.95 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.288 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' PRO . . . . . 0.47 ' HB2' ' HG2' ' B' ' 84' ' ' GLN . 26.6 Cg_exo -63.55 147.03 93.27 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.223 1.948 . . . . 0.0 110.959 174.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 82' ' ' PRO . 21.0 Cg_exo -55.65 -31.74 80.72 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.61 2.206 . . . . 0.0 112.047 -175.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.47 ' HG2' ' HB2' ' B' ' 82' ' ' PRO . 20.8 pt20 -62.71 -28.3 69.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.555 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.423 ' O ' HG23 ' B' ' 89' ' ' VAL . 12.3 p -112.24 -8.7 13.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.531 -177.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -55.45 -51.31 67.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.832 -176.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 7.7 t -67.71 -35.26 78.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.938 0.399 . . . . 0.0 110.017 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.63 69.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.918 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 85' ' ' SER . 98.7 t -61.39 -41.16 88.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.137 0.494 . . . . 0.0 110.17 178.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.61 -52.43 65.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.448 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.63 -33.31 73.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.913 -179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 70.6 m -64.7 -56.48 13.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.17 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.8 OUTLIER -59.39 -44.45 92.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 179.478 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.0 -32.1 62.21 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 121.291 -0.48 . . . . 0.0 112.82 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.98 -39.2 20.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.688 0.28 . . . . 0.0 110.927 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' CYS . . . . . 0.504 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 72.3 m -63.77 -34.82 78.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.601 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.97 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 5.9 mp -60.15 -43.42 95.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.99 0.424 . . . . 0.0 110.732 178.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -59.56 -46.84 87.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.98 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.504 ' HG2' ' HA ' ' B' ' 96' ' ' CYS . 12.3 pt-20 -75.29 -32.9 61.14 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.444 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 54.9 m -63.0 -37.75 88.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.612 0.244 . . . . 0.0 110.531 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.446 ' HE1' ' HG3' ' B' ' 18' ' ' MET . 20.5 mmt -67.34 -42.21 83.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.956 0.407 . . . . 0.0 110.268 176.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' MET . . . . . 0.404 ' HE1' HG23 ' B' ' 108' ' ' VAL . 51.1 tpp -60.31 -37.09 79.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.849 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -89.64 -4.09 57.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.88 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -105.96 -56.81 2.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.784 0.326 . . . . 0.0 111.435 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 75.3 p -101.6 -31.5 10.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.135 0.493 . . . . 0.0 110.9 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.32 -0.37 40.51 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.495 -176.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.2 m -135.33 161.0 36.64 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.56 ' HB ' ' HA ' ' B' ' 2' ' ' SER . 89.8 t -103.33 105.69 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.88 0.372 . . . . 0.0 111.212 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -88.05 115.64 25.66 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 171.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -95.66 -0.86 51.18 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.961 0.41 . . . . 0.0 110.005 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.07 -51.77 35.35 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -64.77 -47.92 76.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.798 175.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.627 ' HA ' HD23 ' B' ' 97' ' ' LEU . 20.2 m -53.39 -44.51 68.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.567 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -70.02 -35.74 74.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.666 0.27 . . . . 0.0 110.683 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -57.33 -44.99 84.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.272 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.473 HG21 HD21 ' B' ' 97' ' ' LEU . 59.3 t -63.31 -34.78 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.966 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' MET . . . . . 0.419 ' O ' ' HG3' ' B' ' 121' ' ' LYS . 29.5 mmt -68.78 -37.18 79.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.077 -178.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -71.92 -41.89 67.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.358 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' B' ' 116' ' ' VAL . 13.2 mt -55.99 -51.58 67.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.342 178.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.34 -28.1 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.631 -174.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' B' ' 117' ' ' MET . 68.9 mttm -76.08 -36.44 58.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.809 0.338 . . . . 0.0 110.323 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 43.5 ttp -64.29 -39.08 93.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.566 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.98 -24.62 64.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.215 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 16.6 t -92.58 0.76 57.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.201 0.524 . . . . 0.0 110.591 -177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -86.54 95.32 9.69 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.052 0.453 . . . . 0.0 110.775 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -89.89 21.56 3.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.132 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 6.4 p -89.2 83.65 6.5 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.515 0.674 . . . . 0.0 111.051 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -110.43 35.92 3.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.45 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -58.53 128.09 35.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.884 -177.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.23 116.49 25.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.987 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 29.8 m -80.94 14.48 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.957 -175.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 14.6 m -65.94 96.99 0.33 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.124 0.487 . . . . 0.0 110.001 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.252 1.21 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.447 -176.12 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -132.85 169.49 16.67 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.63 50.84 3.9 Favored Glycine 0 CA--C 1.517 0.157 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.27 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -131.9 104.27 6.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.854 0.359 . . . . 0.0 110.835 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.6 m -95.81 103.49 15.38 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 174.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.455 ' HB2' ' HD2' ' A' ' 7' ' ' PRO . 13.0 pt20 -156.09 160.94 30.43 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.055 -175.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.455 ' HD2' ' HB2' ' A' ' 6' ' ' GLN . 17.9 Cg_endo -60.09 156.09 41.49 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.59 2.193 . . . . 0.0 112.17 176.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.447 HG21 HG21 ' A' ' 105' ' ' THR . 11.8 pt -78.0 10.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.086 -175.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -80.77 72.3 7.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.478 0.656 . . . . 0.0 111.85 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.7 p -117.88 -26.22 6.54 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.51 170.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -128.73 131.53 23.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.983 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.6 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 12.5 Cg_exo -63.67 -43.21 17.6 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.631 2.221 . . . . 0.0 112.231 -178.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -67.12 -38.39 85.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.943 0.401 . . . . 0.0 110.742 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.36 99.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.542 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.69 76.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.902 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.44 ' CE ' ' HA ' ' A' ' 48' ' ' ASN . 43.5 ttm -58.04 -33.06 68.58 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.1 m -61.42 -37.37 83.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.97 0.414 . . . . 0.0 110.281 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.879 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -67.51 -41.99 83.57 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 176.103 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -62.19 -42.27 99.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.006 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -68.91 -48.42 63.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.727 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -59.97 -33.56 72.1 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.075 0.464 . . . . 0.0 110.599 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.507 HD11 HD12 ' A' ' 97' ' ' LEU . 16.6 tp -64.58 -33.02 74.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.071 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.9 t -77.4 -39.85 28.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.3 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 52.5 mt-30 -58.97 -44.62 91.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.783 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 24.1 p -68.91 -40.75 78.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.357 . . . . 0.0 110.603 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -62.16 -40.69 96.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.366 0.603 . . . . 0.0 110.678 178.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.4 t -61.93 -43.61 98.48 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.552 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.4 ptp180 -85.04 -27.26 26.5 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.4 p -65.05 -40.04 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.367 . . . . 0.0 110.503 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.45 6.76 88.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.538 173.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.906 HG23 HD12 ' A' ' 32' ' ' LEU . 6.5 m -77.42 -18.45 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 117.103 0.451 . . . . 0.0 111.277 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.906 HD12 HG23 ' A' ' 31' ' ' VAL . 5.7 mp -101.61 150.04 23.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.425 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.2 p -86.62 177.77 7.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.727 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.75 -32.92 74.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.98 0.419 . . . . 0.0 110.587 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.77 -52.9 54.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.863 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.453 ' HB3' HD23 ' A' ' 32' ' ' LEU . 52.8 mt-30 -61.9 -38.74 89.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.166 -177.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.7 mmm -65.58 -33.78 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.83 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.433 ' HB3' ' CE1' ' B' ' 61' ' ' HIS . 39.1 t70 -82.12 -25.12 34.69 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.31 178.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 42' ' ' MET . 74.8 m-20 -63.21 -51.34 66.69 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.522 ' O ' ' HB3' ' A' ' 43' ' ' MET . 84.5 mtp -67.71 -23.75 65.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.2 174.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.91 -46.23 92.11 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.991 -0.623 . . . . 0.0 111.751 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 22.5 ptt? -71.76 -20.79 61.83 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.208 178.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.522 ' HB3' ' O ' ' A' ' 40' ' ' MET . 49.7 ttp -59.45 -54.0 51.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.171 0.51 . . . . 0.0 110.1 171.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.36 74.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.526 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.417 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 35.7 t70 -71.57 -39.26 70.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.615 -179.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 p -66.3 -38.57 88.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.649 0.262 . . . . 0.0 110.75 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 43' ' ' MET . 21.8 t -66.66 -39.46 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.343 0.592 . . . . 0.0 110.031 175.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 43.0 t-20 -68.51 -48.96 63.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.065 -178.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 12.4 p -60.52 -36.84 79.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -177.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -60.42 -39.33 87.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.256 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.6 ' SD ' ' HB2' ' A' ' 12' ' ' PRO . 57.3 mtp -68.89 -29.09 67.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.72 0.295 . . . . 0.0 110.687 178.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -75.38 -31.89 60.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.224 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 49' ' ' SER . 72.4 mmtt -73.43 -52.24 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.658 177.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.576 ' SD ' ' HD2' ' A' ' 62' ' ' ARG . 72.9 mtm -82.13 -78.78 0.19 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.342 -177.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.87 -152.01 21.97 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.308 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -85.84 -0.65 8.67 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.147 2.565 . . . . 0.0 113.646 -175.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -138.3 68.25 47.07 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-O 120.882 0.372 . . . . 0.0 110.833 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -84.24 163.23 13.2 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.992 2.461 . . . . 0.0 112.77 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.406 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 36.9 Cg_endo -67.41 137.19 42.35 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.585 2.19 . . . . 0.0 111.811 176.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -65.8 -37.94 87.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.848 -176.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.48 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 21.6 p80 -63.12 -25.88 68.56 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.941 0.4 . . . . 0.0 110.916 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.679 ' HG3' ' SD ' ' B' ' 42' ' ' MET . 32.1 ttm180 -68.33 -36.88 79.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.36 -34.37 74.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.803 175.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.64 ' HD2' HG21 ' B' ' 80' ' ' THR . 30.5 ttp85 -56.38 -45.97 80.28 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.507 174.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.486 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -72.36 -38.0 68.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 89.8 mmm -64.35 -25.48 68.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.716 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -55.19 -49.81 70.96 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.301 0.376 . . . . 0.0 110.744 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.2 m -76.56 -30.33 57.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.936 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.48 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -58.71 -58.62 7.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.654 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.5 ttt -58.82 -40.57 84.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.753 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.76 80.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.451 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.472 ' HB1' ' OE2' ' A' ' 76' ' ' GLU . . . -71.92 -29.11 63.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.152 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 35.9 mt-10 -64.03 -18.01 63.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.783 -0.19 . . . . 0.0 110.952 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.4 t -92.86 -47.77 13.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.923 0.392 . . . . 0.0 110.765 173.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.33 -53.03 56.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.46 -174.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.58 ' HG2' ' HB ' ' B' ' 68' ' ' THR . 1.9 mp0 -61.46 -31.67 71.64 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.44 ' O ' HG22 ' A' ' 80' ' ' THR . 76.9 t -66.31 -35.27 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.161 0.505 . . . . 0.0 110.271 176.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.423 HG22 HG12 ' A' ' 89' ' ' VAL . 48.1 t -73.34 -43.14 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.715 177.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.447 ' HB2' HG23 ' A' ' 120' ' ' VAL . . . -74.16 -14.4 60.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -175.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 77' ' ' VAL . 6.0 t -90.26 1.93 55.98 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.046 0.45 . . . . 0.0 111.275 -176.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.6 p -88.4 163.53 36.04 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.524 -178.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -58.75 159.87 19.48 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.717 2.278 . . . . 0.0 111.549 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.65 -27.77 69.05 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.163 1.909 . . . . 0.0 111.651 -175.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -78.68 -21.56 48.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.751 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.406 ' O ' HG23 ' A' ' 89' ' ' VAL . 7.7 t -100.86 -23.48 14.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.315 -176.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -48.02 -61.28 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.599 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.3 m -60.72 -36.03 77.81 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.261 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.8 -45.26 83.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.738 0.304 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.423 HG12 HG22 ' A' ' 78' ' ' VAL . 57.4 t -72.15 -43.63 66.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.435 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -56.63 -51.04 70.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.449 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -59.05 -45.12 91.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.8 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.1 m -63.28 -49.51 73.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.993 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.2 mm -64.74 -49.56 79.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.782 178.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.43 -41.81 73.36 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.32 -0.467 . . . . 0.0 112.628 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.99 -39.14 66.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.66 0.267 . . . . 0.0 110.848 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.411 ' SG ' HD12 ' A' ' 22' ' ' LEU . 45.0 t -68.52 -30.52 69.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.831 -175.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.879 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 7.8 mp -60.07 -40.71 90.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.179 0.514 . . . . 0.0 110.184 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -63.77 -43.31 96.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.257 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 10.8 mm-40 -65.01 -52.17 57.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.338 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.0 m -57.35 -39.77 76.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.949 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 17.7 mmt -63.96 -40.69 96.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.995 0.426 . . . . 0.0 110.167 176.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 47.6 tpp -65.03 -32.17 73.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.846 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 81.6 mm-40 -82.69 -31.89 28.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.344 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.58 -61.55 1.77 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.836 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.447 HG21 HG21 ' A' ' 8' ' ' ILE . 62.5 p -98.68 -30.52 12.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.115 0.483 . . . . 0.0 111.103 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.86 4.47 57.84 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -176.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.8 m -136.26 132.51 35.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.9 t -82.12 105.37 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.679 0.276 . . . . 0.0 110.873 -178.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -76.55 136.13 39.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.841 172.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -100.15 -19.0 16.66 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.355 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.59 74.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 111.107 -176.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -72.43 -48.81 38.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.202 178.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.718 ' HA ' HD23 ' A' ' 97' ' ' LEU . 14.8 m -55.89 -43.67 77.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.143 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.429 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 61.5 t30 -70.19 -39.59 75.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.997 0.427 . . . . 0.0 110.806 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.66 -45.83 88.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.102 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.558 HG21 HD21 ' A' ' 97' ' ' LEU . 58.1 t -61.41 -35.03 63.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.8 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.1 mmt -69.99 -41.73 74.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.006 -177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 26.7 mm-40 -68.37 -36.75 79.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.585 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 116' ' ' VAL . 27.9 mt -59.8 -51.89 67.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.086 177.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 79' ' ' ALA . 12.1 p -70.63 -36.72 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.696 -175.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -69.92 -31.54 69.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.62 0.247 . . . . 0.0 110.642 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -66.19 -45.4 80.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.3 mt -73.38 -20.83 60.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.439 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.2 t -99.81 12.85 35.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.002 0.429 . . . . 0.0 110.349 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -92.62 25.43 3.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.217 0.532 . . . . 0.0 111.598 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -103.9 68.73 0.92 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.494 0.664 . . . . 0.0 109.666 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 36.7 m -112.28 130.84 55.8 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.382 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -132.01 39.38 3.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.143 0.497 . . . . 0.0 110.958 -174.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -90.53 103.3 16.01 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.57 120.17 20.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.452 0.644 . . . . 0.0 110.427 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 30.7 m -78.3 -13.4 13.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.882 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.1 m -65.05 103.92 0.81 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 174.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 7.8 m . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.234 -173.212 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.519 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -82.33 93.02 7.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.844 0.354 . . . . 0.0 110.207 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.59 -40.85 14.17 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.146 -0.549 . . . . 0.0 111.848 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -94.84 96.9 9.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.841 0.829 . . . . 0.0 110.1 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -98.96 171.29 8.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.402 -178.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.509 ' HB2' ' HD2' ' B' ' 7' ' ' PRO . 0.7 OUTLIER -145.41 165.77 20.27 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.438 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.509 ' HD2' ' HB2' ' B' ' 6' ' ' GLN . 10.0 Cg_endo -52.68 140.62 55.8 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.325 2.017 . . . . 0.0 111.317 173.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.457 ' CG2' HG21 ' B' ' 105' ' ' THR . 12.3 pt -74.95 4.11 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -171.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -77.86 10.97 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.005 0.431 . . . . 0.0 111.491 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.3 p -66.54 -28.37 68.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.519 0.676 . . . . 0.0 109.379 169.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -120.65 115.77 32.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.29 174.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -70.06 -33.44 15.46 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.433 2.089 . . . . 0.0 113.097 -172.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -76.08 -40.97 51.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.079 0.466 . . . . 0.0 110.299 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.75 -41.65 87.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.514 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -35.35 80.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.727 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.7 ttm -61.42 -25.52 67.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.849 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 47.3 m -65.19 -36.56 84.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.175 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.494 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -64.97 -42.78 94.27 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.827 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -43.84 95.09 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.606 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -62.82 -43.23 99.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.557 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -65.67 -38.19 88.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.092 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.723 HD21 HD12 ' B' ' 97' ' ' LEU . 31.4 mt -56.82 -43.43 80.99 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.213 177.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.94 -39.22 84.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.78 0.324 . . . . 0.0 110.696 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.82 -36.96 81.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.578 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 30.8 p -80.71 -38.11 29.43 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.655 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.4 85.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 111.331 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 32.9 t -65.21 -25.57 67.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.613 -175.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -97.79 1.44 48.35 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.49 -176.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 89.2 p -81.97 -51.12 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.542 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.48 3.53 62.88 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.774 -177.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.432 ' HB ' HD12 ' B' ' 32' ' ' LEU . 5.6 t -85.39 -36.53 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.246 0.546 . . . . 0.0 110.569 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.432 HD12 ' HB ' ' B' ' 31' ' ' VAL . 6.0 mp -91.29 151.13 21.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.796 -176.106 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 67.4 p -87.47 170.4 11.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.892 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.03 -30.8 71.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.152 0.501 . . . . 0.0 110.559 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.9 -57.45 11.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.579 177.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.707 ' HB3' HG13 ' B' ' 77' ' ' VAL . 46.9 mt-30 -60.9 -41.56 96.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.514 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 68.4 mmm -64.04 -34.31 77.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.818 -177.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.427 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 14.5 t70 -69.78 -38.27 76.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' B' ' 42' ' ' MET . 55.7 m-20 -60.74 -43.33 98.08 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.255 0.55 . . . . 0.0 110.412 176.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.472 ' O ' ' HB3' ' B' ' 43' ' ' MET . 84.5 mtp -66.99 -31.42 71.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.028 0.442 . . . . 0.0 110.646 178.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.96 -45.92 84.77 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.077 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.679 ' SD ' ' HG3' ' A' ' 62' ' ' ARG . 24.7 ptt? -67.24 -26.79 66.76 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.78 0.324 . . . . 0.0 110.304 177.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' MET . . . . . 0.472 ' HB3' ' O ' ' B' ' 40' ' ' MET . 47.8 ttp -58.38 -53.61 56.41 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.021 0.438 . . . . 0.0 110.372 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.29 93.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.07 -40.34 78.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.698 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 22.4 p -64.25 -42.04 96.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.492 0.187 . . . . 0.0 110.987 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 43' ' ' MET . 46.6 t -62.66 -39.07 83.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.341 0.591 . . . . 0.0 109.818 175.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -64.94 -46.27 82.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.729 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 5.3 p -70.42 -26.86 63.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.587 -177.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -66.18 -37.91 86.77 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 42.7 mtp -68.78 -27.67 66.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.587 175.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.94 -30.28 70.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.148 0.499 . . . . 0.0 110.03 174.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -82.21 -47.79 12.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.357 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 62.0 mtm -75.22 -49.36 19.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.235 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.84 -133.02 22.49 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.782 -175.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -80.63 157.11 21.64 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.931 2.421 . . . . 0.0 112.461 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 54.36 70.8 1.54 Allowed Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.893 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -81.53 156.01 18.76 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.069 1.846 . . . . 0.0 113.428 -176.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.461 ' HG2' ' HB2' ' B' ' 62' ' ' ARG . 55.8 Cg_endo -71.38 115.24 4.2 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 123.506 2.804 . . . . 0.0 111.771 176.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -55.67 -40.06 71.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.18 -176.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.805 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 29.3 p80 -64.99 -36.07 83.21 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.608 -176.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.461 ' HB2' ' HG2' ' B' ' 59' ' ' PRO . 72.8 mtt180 -66.34 -28.98 69.08 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.089 -0.644 . . . . 0.0 109.963 177.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.86 -36.13 67.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.886 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.805 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 23.9 ptt180 -64.65 -37.51 87.83 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.64 -42.02 52.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.025 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.513 ' HA ' ' HB3' ' B' ' 69' ' ' ALA . 90.7 mmm -66.84 -25.1 66.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.385 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.4 ' O ' ' HE1' ' B' ' 112' ' ' PHE . 26.0 t-20 -52.37 -55.61 20.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.277 0.56 . . . . 0.0 110.09 173.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.58 ' HB ' ' HG2' ' A' ' 76' ' ' GLU . 17.4 m -80.13 -23.72 40.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.214 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' B' ' 66' ' ' MET . . . -58.34 -52.57 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.187 176.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 17.6 ttt -56.96 -43.96 82.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.485 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.67 88.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.598 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.81 -32.44 72.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.247 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 42.7 mt-10 -62.6 -46.89 86.2 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.43 ' O ' HG23 ' B' ' 78' ' ' VAL . 82.8 t -61.21 -44.86 99.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.443 175.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.53 91.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.225 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.486 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 25.5 tp10 -59.91 -42.18 93.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.638 176.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.707 HG13 ' HB3' ' B' ' 36' ' ' GLN . 75.4 t -63.81 -44.91 98.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.045 178.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 74' ' ' VAL . 65.5 t -69.4 -44.42 80.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.322 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.66 -33.47 76.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.805 0.336 . . . . 0.0 111.45 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' THR . . . . . 0.64 HG21 ' HD2' ' A' ' 64' ' ' ARG . 16.7 m -85.24 77.84 9.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.316 0.579 . . . . 0.0 110.414 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 60.4 p -154.02 162.17 27.48 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.0 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -56.97 148.6 67.04 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.421 2.081 . . . . 0.0 111.324 173.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.69 -19.1 66.73 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.293 1.995 . . . . 0.0 111.812 -175.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -86.2 -20.76 28.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.256 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.413 ' O ' HG23 ' B' ' 89' ' ' VAL . 18.3 t -107.48 -23.83 12.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.089 -175.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -43.99 -59.2 2.4 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.187 0.517 . . . . 0.0 112.154 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m -58.58 -32.36 68.88 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.58 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.81 -46.3 31.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.595 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.429 HG22 HG12 ' B' ' 31' ' ' VAL . 58.1 t -58.69 -44.55 90.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.271 0.558 . . . . 0.0 109.914 177.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -56.98 -50.56 72.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.492 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -63.12 -38.03 89.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.138 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 61.7 m -63.32 -48.48 77.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.363 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.7 mm -65.65 -46.5 89.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.1 -37.72 92.06 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.547 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.49 -42.76 70.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 178.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 46.4 t -71.03 -27.37 63.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.843 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.723 HD12 HD21 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -55.49 -46.33 76.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.045 177.031 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.56 ' HG3' HG21 ' B' ' 108' ' ' VAL . 38.7 ttp180 -60.3 -50.56 73.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.958 178.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -59.06 -50.28 74.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.99 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 73.1 m -54.5 -42.88 71.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.972 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.556 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 15.6 mmt -65.99 -43.1 88.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.811 0.338 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 46.8 tpp -62.09 -38.72 89.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.963 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -83.32 -17.49 42.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.8 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.45 -53.09 4.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.817 0.341 . . . . 0.0 111.693 -177.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.457 HG21 ' CG2' ' B' ' 8' ' ' ILE . 67.7 p -109.7 -43.01 4.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.685 -173.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.92 -11.82 7.76 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 68.2 m -130.83 142.69 50.4 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.56 HG21 ' HG3' ' B' ' 98' ' ' ARG . 3.7 p -91.45 104.99 16.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.502 0.668 . . . . 0.0 111.01 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -71.56 129.67 39.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.52 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.26 -24.81 23.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.631 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.74 -54.41 45.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.966 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.456 ' O ' HG23 ' B' ' 116' ' ' VAL . 76.9 t80 -66.89 -46.04 76.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.445 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.58 ' HA ' HD23 ' B' ' 97' ' ' LEU . 59.8 m -56.61 -44.13 80.83 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.315 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ASN . . . . . 0.556 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 65.6 t30 -72.72 -38.05 67.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.608 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.81 -41.98 92.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.383 -178.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 112' ' ' PHE . 58.4 t -59.53 -39.26 78.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.127 0.489 . . . . 0.0 109.992 177.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 20.2 mmt -67.06 -44.85 79.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.079 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 44.4 mt-30 -57.52 -43.1 84.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.757 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.92 -51.25 67.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.452 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.0 p -72.18 -32.33 42.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.511 -174.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' B' ' 125' ' ' ALA . 58.0 mtpt -75.01 -7.94 55.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.0 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -100.32 -50.82 3.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.931 0.396 . . . . 0.0 110.538 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.79 -38.67 86.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.868 -176.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 33.1 t -97.8 13.9 28.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.172 -176.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' B' ' 121' ' ' LYS . . . -98.34 27.68 4.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.185 0.517 . . . . 0.0 111.564 -176.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -90.64 90.19 7.86 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.969 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 70.5 m -154.26 107.63 2.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.207 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -103.07 40.52 1.38 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.355 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -58.43 139.99 54.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.733 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.46 142.45 53.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.645 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 34.6 m -102.45 7.94 9.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.249 0.547 . . . . 0.0 110.715 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 20.1 t -68.76 103.02 1.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.533 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.337 -176.052 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.757 -0.537 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.8 m -154.25 -166.56 2.39 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.15 -87.14 1.36 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -176.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -105.52 128.02 53.34 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 171.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -155.54 155.68 33.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.818 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -71.19 143.99 89.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -47.32 122.21 6.29 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.082 2.521 . . . . 0.0 112.879 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.836 ' HB ' HG21 ' A' ' 105' ' ' THR . 2.7 pp -67.84 -7.15 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.915 -175.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.401 ' CE2' ' HA ' ' A' ' 67' ' ' ASN . 75.3 m95 -71.9 8.74 1.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.871 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.5 m -65.34 -23.58 67.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.307 0.575 . . . . 0.0 109.485 172.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -122.19 114.2 30.75 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.02 176.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -70.78 -33.95 11.93 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.735 2.29 . . . . 0.0 112.715 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -68.21 -41.99 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.428 . . . . 0.0 109.866 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.41 95.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.713 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.35 99.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.657 177.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.1 ttm -62.53 -29.84 70.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.531 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.8 m -65.05 -36.78 85.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.966 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.466 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 0.2 OUTLIER -65.48 -42.08 92.6 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 176.621 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -44.87 95.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.348 176.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -64.04 -44.17 93.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.824 178.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -59.4 -40.53 86.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.695 HD21 HD12 ' A' ' 97' ' ' LEU . 29.2 mt -62.28 -42.02 98.99 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.174 -0.211 . . . . 0.0 111.325 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.42 -44.8 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.681 0.277 . . . . 0.0 110.62 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -62.23 -45.78 91.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.073 0.463 . . . . 0.0 110.069 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.6 t -60.73 -42.67 97.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.508 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -68.23 -41.67 80.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.094 0.473 . . . . 0.0 111.255 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 t -67.7 -33.63 75.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.139 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -86.33 -24.02 26.01 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.302 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 p -74.62 -41.89 59.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.075 0.464 . . . . 0.0 110.094 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.97 19.82 78.54 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.649 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.403 ' CG1' HD12 ' A' ' 32' ' ' LEU . 14.5 p -88.55 -18.24 8.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.064 0.459 . . . . 0.0 110.139 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.519 ' HB3' ' HB2' ' A' ' 36' ' ' GLN . 5.3 mp -95.72 152.16 18.71 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.548 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.3 p -85.46 178.42 7.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.298 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -43.13 91.63 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.973 ' HB3' HH22 ' B' ' 64' ' ' ARG . 1.1 m-20 -52.43 -58.5 6.52 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.906 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.567 ' HB3' HG13 ' A' ' 77' ' ' VAL . 48.4 mt-30 -60.08 -46.98 87.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.149 -175.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.6 mmm -59.99 -46.18 90.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.826 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.403 ' OD2' ' HE1' ' B' ' 61' ' ' HIS . 29.4 t70 -68.23 -33.92 75.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.019 0.438 . . . . 0.0 111.077 -174.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.483 ' HA ' ' NH1' ' B' ' 62' ' ' ARG . 65.6 m-20 -71.64 -35.42 70.39 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.814 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' A' ' 43' ' ' MET . 92.5 mtp -65.05 -34.27 78.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.014 0.435 . . . . 0.0 110.185 174.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.79 -40.82 99.33 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.655 174.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.444 ' SD ' ' HG3' ' B' ' 62' ' ' ARG . 53.3 ttp -64.0 -35.42 80.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 110.693 176.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.486 ' O ' HG23 ' A' ' 47' ' ' VAL . 43.6 ttp -58.44 -46.13 87.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 177.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.94 89.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.972 0.415 . . . . 0.0 110.773 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.48 -38.76 77.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.49 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 p -66.67 -39.87 88.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.685 0.278 . . . . 0.0 111.042 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 43' ' ' MET . 41.6 t -65.67 -35.63 75.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.253 0.549 . . . . 0.0 109.957 175.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -72.01 -48.89 41.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.575 -177.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.499 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 8.1 p -62.61 -40.14 96.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.581 -175.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.536 ' HB3' ' HE2' ' A' ' 54' ' ' MET . 92.5 mt-30 -58.2 -39.37 78.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.855 0.36 . . . . 0.0 110.894 177.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 88.0 mmm -62.63 -49.25 75.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.27 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -70.44 -21.15 62.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.382 -177.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 49' ' ' SER . 41.1 mtpt -78.81 -47.46 16.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.387 176.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.536 ' HE2' ' HB3' ' A' ' 50' ' ' GLN . 74.3 mtm -79.79 -55.4 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.809 -174.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.31 -159.8 27.17 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.109 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -84.28 -14.02 7.22 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.638 2.225 . . . . 0.0 113.07 -176.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -135.5 81.72 41.65 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-O 121.15 0.5 . . . . 0.0 110.699 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -63.18 158.53 43.72 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.994 2.463 . . . . 0.0 112.398 173.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.539 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 40.7 Cg_endo -66.96 154.96 72.89 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.947 2.431 . . . . 0.0 112.258 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 28.1 mm-40 -58.07 -43.2 86.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.161 -177.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.62 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 30.3 p80 -60.8 -35.15 75.75 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.865 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.539 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 3.0 tmt_? -66.14 -38.95 89.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.799 0.333 . . . . 0.0 110.343 -177.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.96 -49.98 70.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.369 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.62 ' HE ' ' HA ' ' A' ' 61' ' ' HIS . 10.1 ptt180 -72.37 -21.05 61.35 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.924 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.896 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -76.35 -51.15 12.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.935 0.397 . . . . 0.0 110.691 175.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.527 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 99.7 mmm -63.73 -22.06 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.293 -177.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.401 ' HA ' ' CE2' ' A' ' 9' ' ' TRP . 41.6 t30 -50.85 -53.24 33.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.127 0.489 . . . . 0.0 109.992 170.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 57.3 m -76.85 -33.06 57.92 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.072 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.527 ' HB3' ' HA ' ' A' ' 66' ' ' MET . . . -60.79 -54.68 42.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.654 0.264 . . . . 0.0 111.304 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.41 ' HE2' ' CZ ' ' A' ' 112' ' ' PHE . 20.7 ttt -59.38 -44.22 92.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.48 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.96 99.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.129 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.416 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -64.14 -38.09 89.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.019 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -62.04 -48.82 78.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.689 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 78' ' ' VAL . 73.1 t -58.95 -45.73 91.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.827 0.346 . . . . 0.0 110.629 177.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.89 -43.47 98.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.378 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.76 -45.73 91.35 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.567 HG13 ' HB3' ' A' ' 36' ' ' GLN . 39.3 t -58.03 -50.76 76.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.37 177.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 74' ' ' VAL . 95.6 t -61.69 -45.08 99.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.647 0.261 . . . . 0.0 111.384 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HB2' HG23 ' A' ' 120' ' ' VAL . . . -64.01 -19.61 65.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.59 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.3 m -91.22 69.18 6.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.256 0.55 . . . . 0.0 110.199 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 56.9 p -152.33 152.99 30.26 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.416 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.01 143.11 99.19 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.284 1.989 . . . . 0.0 111.241 175.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.35 -24.74 36.15 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.227 2.618 . . . . 0.0 112.419 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -60.23 -50.04 75.22 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.569 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.5 m -107.07 4.23 26.72 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.909 -173.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -55.47 -48.75 74.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 110.787 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.3 t -62.24 -38.91 91.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.549 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.66 -48.99 72.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.9 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.13 -46.41 96.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.946 0.403 . . . . 0.0 110.199 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -57.83 -50.09 74.45 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.493 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -58.57 -43.97 89.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.08 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.3 m -59.42 -50.37 74.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.37 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.46 HG23 HD13 ' A' ' 97' ' ' LEU . 1.5 mm -66.8 -48.97 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.073 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.48 -32.23 82.4 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.934 -0.651 . . . . 0.0 113.213 -176.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.54 -38.21 26.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.669 -0.313 . . . . 0.0 110.905 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.0 t -77.18 -25.11 51.49 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.695 HD12 HD21 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -50.55 -53.32 31.25 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.146 176.423 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -57.26 -50.06 74.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.138 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 7.0 mm-40 -64.28 -47.1 80.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.97 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 61.9 m -51.34 -39.86 57.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.402 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.466 ' SD ' ' HG3' ' A' ' 18' ' ' MET . 15.0 mmt -64.38 -44.71 90.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.829 0.347 . . . . 0.0 110.761 177.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.4 ttm -70.24 -26.27 63.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.988 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 32.2 mm-40 -77.68 -35.87 51.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.132 0.491 . . . . 0.0 110.194 177.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.76 -68.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.374 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.836 HG21 ' HB ' ' A' ' 8' ' ' ILE . 72.0 p -89.49 -40.26 12.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.189 0.518 . . . . 0.0 110.869 -176.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.58 -1.77 30.7 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -176.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.5 m -129.82 134.3 47.47 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 63.9 t -75.78 101.95 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.938 0.399 . . . . 0.0 110.976 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -75.58 101.39 4.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.318 175.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -76.58 -20.68 56.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.812 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.66 -52.43 57.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.834 0.35 . . . . 0.0 110.496 -178.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.41 ' CZ ' ' HE2' ' A' ' 70' ' ' MET . 79.2 t80 -66.82 -49.27 66.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.212 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.65 ' HA ' HD23 ' A' ' 97' ' ' LEU . 28.6 m -55.08 -44.88 75.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.718 -178.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -66.99 -42.92 84.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.729 0.299 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.21 -41.63 89.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 -175.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 82.5 t -58.2 -40.45 77.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.902 0.382 . . . . 0.0 110.973 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 8.6 mmt -69.95 -37.95 75.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.226 -176.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -70.4 -40.9 73.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.487 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 72' ' ' ALA . 13.9 mt -58.69 -47.7 83.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.344 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.468 HG23 ' HB2' ' A' ' 79' ' ' ALA . 14.4 p -71.71 -36.42 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.962 -176.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -66.1 -33.82 76.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.643 0.259 . . . . 0.0 110.783 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 37.4 ttp -68.63 -39.0 80.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 83.4 mt -74.42 -32.35 62.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.205 0.526 . . . . 0.0 111.007 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 57.9 m -91.51 12.64 20.16 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.177 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -88.05 103.33 15.62 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 120.999 0.428 . . . . 0.0 110.499 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -129.81 128.23 41.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.632 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.1 p -64.89 113.7 4.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.134 0.493 . . . . 0.0 111.046 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.01 32.72 0.98 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.17 -174.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -67.35 108.63 2.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.44 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.02 117.12 27.81 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 121.89 0.852 . . . . 0.0 110.317 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 10.9 t -85.08 -34.22 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 114.419 -1.264 . . . . 0.0 110.76 -170.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.5 t -85.64 176.74 8.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.857 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.365 -178.077 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.004 -0.438 . . . . 0.0 112.004 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.8 m -148.31 139.35 23.2 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.14 -158.85 27.13 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.186 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -59.42 124.43 20.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.47 0.652 . . . . 0.0 110.898 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -138.58 172.26 13.14 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.898 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -68.89 145.45 96.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 175.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -49.06 113.28 0.85 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.952 2.435 . . . . 0.0 112.324 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.87 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.5 pp -69.24 -3.07 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.65 -175.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.512 ' O ' HD13 ' B' ' 63' ' ' LEU . 87.3 m95 -79.7 12.19 2.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.425 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.5 m -60.08 -30.0 68.94 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.519 0.676 . . . . 0.0 109.702 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -130.46 111.16 16.43 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.457 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -67.2 -26.36 42.35 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.085 2.523 . . . . 0.0 112.409 -173.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -67.38 -36.79 82.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.123 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.37 -42.03 65.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.256 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.65 97.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.642 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 43.1 ttm -63.48 -27.24 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.519 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 63.2 m -67.28 -37.21 83.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.192 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.486 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.3 OUTLIER -62.64 -39.53 94.16 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 175.739 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -63.0 -47.29 83.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.804 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -67.12 -39.91 86.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.981 -178.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -61.82 -36.92 82.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.985 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.695 HD21 HD12 ' B' ' 97' ' ' LEU . 54.5 mt -59.73 -47.29 86.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.065 177.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.453 HG22 ' HB3' ' B' ' 40' ' ' MET . 90.5 t -61.72 -45.39 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.962 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.451 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 52.5 mt-30 -61.48 -42.68 99.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.038 0.447 . . . . 0.0 110.193 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 31.1 t -64.32 -41.81 96.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.823 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.534 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -63.6 -37.23 86.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.947 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 39.8 t -70.34 -21.61 62.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.715 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' B' ' 24' ' ' GLN . 53.5 mtp180 -80.79 -35.5 33.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.827 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.9 p -80.39 -48.13 13.37 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.981 -177.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.91 23.33 78.15 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.07 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.1 p -88.24 -5.67 10.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.625 0.726 . . . . 0.0 109.963 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.534 HD13 ' HB1' ' B' ' 26' ' ' ALA . 4.9 mp -104.57 160.87 14.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.568 -178.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 35.0 p -89.21 173.6 8.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.804 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.08 96.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.745 0.307 . . . . 0.0 110.738 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.576 ' OD2' ' HB3' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -54.84 -48.83 72.36 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.756 175.866 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.662 ' HB3' HG13 ' B' ' 77' ' ' VAL . 27.0 mt-30 -68.11 -44.44 76.17 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.255 -177.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 80.7 mmm -63.01 -45.69 91.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.641 0.257 . . . . 0.0 111.229 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -69.42 -25.52 64.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.353 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -72.91 -44.06 61.7 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.203 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.453 ' HB3' HG22 ' B' ' 23' ' ' VAL . 88.6 mtp -61.99 -38.76 89.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.255 176.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.95 -42.48 96.83 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.436 175.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -60.27 -42.61 95.77 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.836 0.35 . . . . 0.0 110.293 175.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 39.6 ttp -54.79 -52.05 63.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.089 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.92 95.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.53 -34.08 77.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.209 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 65.1 m -62.13 -50.49 71.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.584 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 24.3 t -58.58 -42.36 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 121.372 0.606 . . . . 0.0 109.825 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -60.29 -47.32 86.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.088 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.448 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 20.5 m -69.56 -43.26 73.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.27 -178.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -58.83 -41.6 87.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.656 0.265 . . . . 0.0 111.046 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -57.0 -48.61 78.05 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.079 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -82.77 -7.91 59.62 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 49' ' ' SER . 9.6 mtpm? -81.03 -9.78 59.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.327 0.584 . . . . 0.0 109.926 170.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' MET . . . . . 0.556 ' SD ' ' HG2' ' B' ' 62' ' ' ARG . 74.9 mtm -112.21 -172.52 2.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.587 177.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.75 179.7 51.29 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.373 -0.917 . . . . 0.0 111.906 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.6 -14.36 39.37 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.512 2.141 . . . . 0.0 112.456 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -128.91 84.61 62.55 Favored Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.699 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.42 157.0 53.9 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.459 2.106 . . . . 0.0 112.712 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.658 ' HG2' ' HD3' ' B' ' 62' ' ' ARG . 31.6 Cg_endo -65.3 147.4 87.67 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.695 2.263 . . . . 0.0 111.907 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -66.57 -30.93 71.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.827 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.574 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 25.8 p80 -68.28 -20.4 64.78 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.227 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.658 ' HD3' ' HG2' ' B' ' 59' ' ' PRO . 2.9 mpt_? -68.64 -38.94 80.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.512 HD13 ' O ' ' B' ' 9' ' ' TRP . 75.9 mt -68.05 -39.86 82.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.934 -177.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.973 HH22 ' HB3' ' A' ' 35' ' ' ASP . 23.6 ptt180 -64.73 -39.37 93.52 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.708 0.289 . . . . 0.0 110.343 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.55 -38.45 65.23 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 111.046 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 86.5 mmm -68.8 -29.78 68.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.151 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.497 ' HA ' ' CZ2' ' B' ' 9' ' ' TRP . 7.7 t30 -54.88 -50.56 68.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.228 0.537 . . . . 0.0 110.225 175.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.416 HG22 ' HB1' ' A' ' 72' ' ' ALA . 18.3 m -70.86 -35.77 72.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.963 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.83 -51.33 67.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.842 0.353 . . . . 0.0 111.328 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.0 ttt -60.67 -47.0 88.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.717 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.39 98.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.221 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.01 94.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.449 ' O ' HG23 ' B' ' 77' ' ' VAL . 24.8 mm-40 -62.41 -48.46 79.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.146 178.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.477 ' O ' HG23 ' B' ' 78' ' ' VAL . 58.7 t -57.72 -45.35 86.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.968 0.413 . . . . 0.0 110.539 176.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.93 96.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.784 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.896 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 18.4 tp10 -57.51 -49.7 75.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.256 176.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.662 HG13 ' HB3' ' B' ' 36' ' ' GLN . 54.1 t -52.1 -49.61 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.954 178.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.477 HG23 ' O ' ' B' ' 74' ' ' VAL . 58.4 t -64.13 -41.35 92.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.07 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.38 2.02 26.61 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 39.1 m -92.12 -11.61 35.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.215 0.531 . . . . 0.0 110.259 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 89.6 p -74.5 160.6 80.79 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.46 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' PRO . . . . . 0.454 ' HB2' ' HG2' ' B' ' 84' ' ' GLN . 18.8 Cg_exo -66.31 146.27 80.36 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.217 1.945 . . . . 0.0 110.557 173.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -55.19 -32.23 79.39 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.552 2.168 . . . . 0.0 111.988 -176.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.454 ' HG2' ' HB2' ' B' ' 82' ' ' PRO . 13.8 pt20 -66.41 -17.9 65.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.002 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.401 ' O ' HG23 ' B' ' 89' ' ' VAL . 68.2 m -123.5 4.75 8.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 -177.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' TYR . . . . . 0.532 ' OH ' HG22 ' B' ' 120' ' ' VAL . 38.4 t80 -55.01 -58.09 9.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.416 -176.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 69.9 m -61.61 -35.41 77.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.461 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.28 96.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.927 0.394 . . . . 0.0 110.551 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 85' ' ' SER . 56.8 t -70.14 -45.36 76.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.196 177.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -57.59 -50.98 71.33 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.709 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -58.99 -36.17 74.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.969 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 87.9 m -67.53 -50.56 58.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.805 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.476 HG23 HD13 ' B' ' 97' ' ' LEU . 1.4 mm -64.93 -46.65 91.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.956 178.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.77 -40.88 97.22 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.853 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.25 -35.48 66.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.791 0.329 . . . . 0.0 111.301 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.79 -14.95 40.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.845 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.695 HD12 HD21 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -56.77 -47.07 80.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.473 0.654 . . . . 0.0 109.516 171.204 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.403 ' HG3' HG21 ' B' ' 108' ' ' VAL . 53.2 ttt180 -58.46 -49.67 76.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.583 176.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -58.85 -48.25 82.0 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.912 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' SER . . . . . 0.439 ' HB3' ' HG2' ' B' ' 18' ' ' MET . 66.7 m -55.09 -46.2 75.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.697 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.448 ' HB3' ' O ' ' B' ' 107' ' ' SER . 18.9 mmt -62.63 -39.07 92.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.94 0.4 . . . . 0.0 111.13 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' MET . . . . . 0.447 ' O ' ' HA2' ' B' ' 106' ' ' GLY . 7.1 ttm -68.19 -24.63 64.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.556 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -96.78 -20.54 18.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.044 0.45 . . . . 0.0 111.407 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.11 -57.33 3.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.894 0.378 . . . . 0.0 110.993 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.87 HG21 ' HB ' ' B' ' 8' ' ' ILE . 64.3 p -107.12 -26.79 10.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 0.0 110.745 -178.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' B' ' 102' ' ' MET . . . 99.87 -0.09 56.37 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -176.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' B' ' 101' ' ' MET . 17.0 m -135.5 135.16 40.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.485 -0.358 . . . . 0.0 110.129 -177.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.403 HG21 ' HG3' ' B' ' 98' ' ' ARG . 53.0 t -88.19 102.6 12.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.788 0.328 . . . . 0.0 110.608 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -78.27 133.59 37.66 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.868 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -91.66 -21.33 20.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.48 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.59 -52.44 60.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.646 0.26 . . . . 0.0 110.688 -176.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.468 ' O ' HG23 ' B' ' 116' ' ' VAL . 83.3 t80 -67.23 -50.2 61.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.342 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.594 ' HA ' HD23 ' B' ' 97' ' ' LEU . 43.2 m -55.14 -44.45 75.09 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.286 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 13.2 t30 -69.75 -38.15 76.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.818 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -62.47 -42.17 99.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.626 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 112' ' ' PHE . 57.7 t -58.16 -41.03 79.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.025 0.441 . . . . 0.0 110.384 176.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 26.5 mmt -64.63 -43.15 94.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.505 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 40.5 mt-30 -62.3 -45.58 92.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.995 0.426 . . . . 0.0 110.337 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' B' ' 123' ' ' LEU . 15.8 mt -55.84 -51.48 67.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.395 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' VAL . . . . . 0.532 HG22 ' OH ' ' B' ' 86' ' ' TYR . 11.4 p -69.35 -36.25 71.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.242 -174.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -64.36 -39.1 93.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.973 0.416 . . . . 0.0 110.375 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 37.0 ttp -68.29 -38.54 81.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.063 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' B' ' 119' ' ' LEU . 86.9 mt -65.98 -29.43 69.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.029 0.443 . . . . 0.0 110.645 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 23.9 t -94.84 7.42 46.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.735 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -87.57 31.53 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.229 0.538 . . . . 0.0 111.496 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.19 122.09 16.29 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.158 175.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 32.6 m -66.45 125.48 25.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.646 -178.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -146.95 63.74 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.066 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -76.76 117.81 18.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -79.05 125.07 28.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.731 0.777 . . . . 0.0 111.041 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 1.9 t -97.38 -5.3 9.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.156 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 15.5 m -91.68 135.08 34.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.362 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.556 -0.735 . . . . 0.0 109.706 176.164 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 112.708 -0.157 . . . . 0.0 112.708 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -86.33 137.64 32.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.672 0.272 . . . . 0.0 111.12 -175.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.75 140.59 8.17 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.253 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -67.86 -61.61 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.007 0.432 . . . . 0.0 110.77 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -84.86 132.18 34.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.964 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.451 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 49.8 mt-30 -118.28 124.78 28.34 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -176.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.485 ' HB2' ' HD1' ' A' ' 9' ' ' TRP . 2.3 Cg_endo -85.66 -159.95 0.1 Allowed 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.067 2.511 . . . . 0.0 110.736 172.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.418 HD13 ' SD ' ' A' ' 101' ' ' MET . 7.4 pt -83.69 17.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.133 0.492 . . . . 0.0 111.225 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.621 ' CH2' ' HG2' ' A' ' 66' ' ' MET . 77.0 m95 -88.33 31.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.438 -177.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.3 m -64.39 -38.78 92.24 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 171.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -132.28 136.88 28.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.543 174.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.53 -33.99 44.16 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.831 2.354 . . . . 0.0 112.738 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -71.94 -33.27 68.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 110.572 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.39 76.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.236 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.17 93.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.832 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.0 ttm -60.56 -26.77 67.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.063 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.5 m -65.58 -35.57 81.21 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.969 0.414 . . . . 0.0 110.302 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.82 -39.93 79.77 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 176.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -61.52 -42.47 98.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.929 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -68.77 -42.68 77.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.146 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -64.5 -34.36 78.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.496 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.716 HD21 HD12 ' A' ' 97' ' ' LEU . 32.1 mt -58.72 -39.35 80.6 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.89 0.376 . . . . 0.0 110.964 176.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.2 t -70.15 -36.98 70.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.062 0.458 . . . . 0.0 110.382 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -68.1 -45.45 73.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.56 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 29.2 p -68.81 -34.6 75.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.719 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.522 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -65.65 -40.7 92.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.153 0.502 . . . . 0.0 111.051 175.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.5 t -69.38 -34.62 74.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.045 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.56 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 12.5 ptm180 -85.24 -11.0 55.89 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.249 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 p -90.84 -41.78 11.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.958 0.408 . . . . 0.0 109.95 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.68 23.15 78.02 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.466 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.403 ' CG1' HD12 ' A' ' 32' ' ' LEU . 13.7 p -88.0 -17.0 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.264 0.554 . . . . 0.0 110.424 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.522 HD13 ' HB1' ' A' ' 26' ' ' ALA . 5.2 mp -95.39 161.56 14.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.46 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.9 p -93.41 176.64 6.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.59 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.26 83.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.651 0.262 . . . . 0.0 111.211 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -59.35 -54.1 50.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.194 0.521 . . . . 0.0 109.737 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.635 ' HB3' HG13 ' A' ' 77' ' ' VAL . 50.1 mt-30 -60.42 -46.23 90.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.047 -0.978 . . . . 0.0 111.406 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 86.2 mmm -63.49 -34.25 77.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.581 -177.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -73.2 -34.92 66.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.448 -178.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 42' ' ' MET . 10.1 m-20 -65.2 -40.8 94.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.492 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.437 ' O ' ' HB3' ' A' ' 43' ' ' MET . 87.1 mtp -66.73 -36.4 82.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.952 0.406 . . . . 0.0 110.392 176.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.92 -45.72 93.38 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.676 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.587 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -74.24 -17.61 60.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.322 . . . . 0.0 110.372 179.443 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.437 ' HB3' ' O ' ' A' ' 40' ' ' MET . 49.3 ttp -65.02 -46.8 79.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.193 0.521 . . . . 0.0 109.723 172.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.86 -31.86 73.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.534 0.683 . . . . 0.0 109.962 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.587 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 21.4 t70 -67.58 -46.1 73.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.565 178.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 p -65.8 -42.1 91.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.479 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.541 HG13 ' SD ' ' A' ' 66' ' ' MET . 73.0 t -61.47 -42.73 95.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.133 177.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -66.53 -48.25 70.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.866 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.8 p -64.08 -44.1 93.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 110.971 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.69 ' NE2' ' HB3' ' B' ' 46' ' ' SER . 11.1 mm-40 -59.84 -46.37 89.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.825 175.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' A' ' 47' ' ' VAL . 5.1 tmm? -56.27 -52.91 62.77 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.914 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -68.55 -26.25 65.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.692 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -71.88 -22.99 61.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.064 0.459 . . . . 0.0 111.01 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 73.5 mtm -92.15 -35.14 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.231 0.538 . . . . 0.0 110.041 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.25 -173.38 25.18 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.151 176.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.36 137.8 62.46 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.623 2.216 . . . . 0.0 111.8 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.5 m120 56.11 71.86 1.12 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.389 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -75.51 163.04 34.93 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 123.149 2.566 . . . . 0.0 112.533 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -65.46 143.98 77.92 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.657 2.238 . . . . 0.0 112.449 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.468 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 21.1 mt-30 -79.8 -29.08 40.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.349 -172.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.445 ' HE1' ' OD2' ' B' ' 38' ' ' ASP . 26.1 p80 -61.8 -38.03 86.58 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.142 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.423 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 63.8 mtt180 -68.91 -31.15 69.85 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.109 176.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.6 -31.33 71.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.135 176.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 57.4 mtm180 -59.98 -55.24 36.44 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.64 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -63.45 -36.21 82.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.3 -178.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.621 ' HG2' ' CH2' ' A' ' 9' ' ' TRP . 33.5 ttm -69.19 -33.57 73.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.421 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -54.67 -50.92 67.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.091 0.472 . . . . 0.0 110.562 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.546 HG22 ' HB1' ' B' ' 72' ' ' ALA . 6.7 m -72.12 -29.21 63.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.782 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.24 -53.51 55.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.841 0.353 . . . . 0.0 110.252 175.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.8 ttt -57.75 -45.68 85.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.78 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.16 97.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.573 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.553 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -71.58 -33.23 68.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.43 -178.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 41.5 mt-10 -60.03 -46.22 90.22 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 176.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.67 -45.93 96.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.669 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.71 94.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.963 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 21.5 tp10 -57.79 -48.29 80.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.366 176.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.635 HG13 ' HB3' ' A' ' 36' ' ' GLN . 56.9 t -57.92 -45.3 87.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.56 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -77.59 -47.19 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.801 -175.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.441 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . . . -64.54 -43.83 92.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.788 0.328 . . . . 0.0 111.786 -174.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.2 m -87.71 72.95 9.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.477 0.656 . . . . 0.0 110.612 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.485 ' HB2' ' HD2' ' A' ' 82' ' ' PRO . 59.5 p -137.67 174.48 4.29 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.107 -0.951 . . . . 0.0 108.91 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.485 ' HD2' ' HB2' ' A' ' 81' ' ' SER . 46.6 Cg_exo -56.96 139.72 90.45 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 121.898 1.732 . . . . 0.0 110.831 173.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.05 -12.03 33.65 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.37 2.047 . . . . 0.0 112.371 -172.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -96.48 -14.71 22.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.078 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 t -108.92 -16.49 14.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.8 -176.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.441 ' CE1' ' HA ' ' A' ' 79' ' ' ALA . 45.3 t80 -49.64 -51.4 38.03 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.021 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.8 t -64.17 -32.87 74.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.748 0.308 . . . . 0.0 110.979 -177.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.29 -45.05 50.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.623 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.1 t -63.5 -43.63 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.116 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.08 -49.93 76.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.509 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -58.93 -36.53 74.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.683 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.6 m -65.93 -49.69 67.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.287 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.465 HD13 ' HA ' ' A' ' 93' ' ' ILE . 2.3 mm -66.12 -45.7 89.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.511 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.48 -35.2 90.7 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.754 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.16 -40.24 53.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.832 0.348 . . . . 0.0 110.371 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.506 ' SG ' HD23 ' A' ' 22' ' ' LEU . 47.6 t -67.67 -33.94 75.93 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -178.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.716 HD12 HD21 ' A' ' 22' ' ' LEU . 1.5 mp -51.64 -46.42 63.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.091 0.472 . . . . 0.0 110.94 177.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 45.3 ttt-85 -63.38 -51.3 66.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.467 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 13.8 mm-40 -62.72 -47.46 83.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.173 -178.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.9 m -55.57 -39.27 70.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.701 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.418 ' SD ' HD13 ' A' ' 8' ' ' ILE . 15.7 mmt -65.93 -40.87 91.78 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.613 177.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 34.3 ttm -70.77 -29.39 65.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.14 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 87.1 mm-40 -80.22 -24.73 40.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.943 0.401 . . . . 0.0 110.581 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.43 -59.76 2.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.227 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 64.5 p -96.86 -41.05 8.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.907 0.384 . . . . 0.0 110.992 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 122.06 -15.94 8.8 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.683 -177.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.7 m -129.63 160.25 33.9 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.3 t -84.9 106.84 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.803 0.335 . . . . 0.0 111.314 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -78.95 114.99 18.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -90.18 -15.07 32.21 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 -177.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.68 -49.81 67.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.06 -176.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 116' ' ' VAL . 85.0 t80 -72.24 -46.95 53.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.351 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.623 ' HA ' HD23 ' A' ' 97' ' ' LEU . 24.9 m -58.24 -43.19 87.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.497 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 12.3 t30 -63.6 -39.49 94.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.749 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.61 -47.3 76.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.793 -176.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.563 ' HA ' HD12 ' A' ' 119' ' ' LEU . 53.8 t -60.01 -39.9 81.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.358 -177.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 28.3 mmt -64.69 -35.6 81.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -177.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 114' ' ' ASN . 36.8 mt-30 -74.68 -41.06 60.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.929 0.395 . . . . 0.0 110.003 177.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 116' ' ' VAL . 21.2 mt -55.91 -49.38 73.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.2 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.7 p -69.67 -33.07 54.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.125 -0.488 . . . . 0.0 112.0 -173.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -75.93 -26.74 57.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.786 0.326 . . . . 0.0 110.795 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.453 ' HE1' HD23 ' B' ' 119' ' ' LEU . 43.5 ttp -80.95 -40.72 24.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.175 176.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -33.71 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.493 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t -81.27 6.1 15.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.552 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -89.5 98.78 11.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.962 0.411 . . . . 0.0 110.64 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -85.3 132.02 34.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.001 177.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.9 m -86.03 111.52 20.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.003 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.98 16.28 14.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.213 0.53 . . . . 0.0 110.596 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -75.91 175.21 9.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.452 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -81.05 71.62 8.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.001 0.429 . . . . 0.0 111.337 -175.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 29.1 m -97.99 -20.73 5.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.65 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.3 p -160.51 101.95 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.154 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.558 -177.644 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 111.959 -0.456 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.2 m -73.38 108.07 6.03 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.26 -133.13 2.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 121.233 -0.508 . . . . 0.0 111.872 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -153.57 -75.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 110.542 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -71.85 143.85 49.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.276 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -107.36 121.09 45.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.295 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.72 -168.15 0.53 Allowed 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.81 2.34 . . . . 0.0 111.46 174.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' B' ' 15' ' ' ALA . 1.2 pt -74.87 -5.01 6.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.901 0.382 . . . . 0.0 111.16 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -78.92 14.34 1.41 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.26 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -66.83 -34.34 77.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.17 0.51 . . . . 0.0 109.999 173.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -118.49 114.2 36.32 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.734 172.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -57.66 -34.09 97.62 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.758 2.305 . . . . 0.0 111.751 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -65.76 -43.44 88.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.597 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.95 -44.45 80.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.504 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.448 ' HA ' HD12 ' B' ' 8' ' ' ILE . . . -60.86 -42.45 97.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.758 177.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 43.6 ttm -63.34 -31.46 72.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.627 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 31.3 m -63.61 -35.66 81.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.048 0.452 . . . . 0.0 110.061 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' MET . . . . . 1.106 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -66.69 -43.21 85.01 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 176.029 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -61.75 -45.28 94.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.102 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' B' ' 24' ' ' GLN . 89.3 m-20 -66.6 -40.98 89.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.083 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -62.14 -36.74 82.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.094 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.61 HD21 HD12 ' B' ' 97' ' ' LEU . 31.1 mt -58.88 -46.68 87.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.944 0.402 . . . . 0.0 111.259 177.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 46.3 t -66.77 -36.02 76.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.912 0.387 . . . . 0.0 110.251 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.565 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 53.0 mt-30 -65.91 -50.99 62.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.095 177.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 21.5 p -66.7 -33.84 76.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.965 0.412 . . . . 0.0 110.674 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.71 -43.13 80.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.058 0.456 . . . . 0.0 110.459 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 48.3 t -60.6 -36.94 79.78 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.1 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 8.1 ptm180 -88.21 0.92 55.52 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.3 p -87.88 -41.54 13.14 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.186 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.52 11.25 84.33 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.068 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.52 HG12 HG22 ' B' ' 89' ' ' VAL . 6.9 t -89.81 -26.76 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.152 0.501 . . . . 0.0 110.247 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -95.51 151.31 19.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.886 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 34.5 p -88.65 178.48 6.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.607 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.08 -36.05 82.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.923 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -66.86 -51.36 56.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.468 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -58.04 -46.69 84.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.392 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' MET . . . . . 0.423 ' O ' ' HG3' ' B' ' 40' ' ' MET . 60.7 mmm -63.64 -41.07 98.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.095 -177.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.445 ' OD2' ' HE1' ' A' ' 61' ' ' HIS . 37.8 t70 -73.88 -25.48 60.06 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.403 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -63.32 -57.03 11.72 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.083 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.55 ' O ' ' HB3' ' B' ' 43' ' ' MET . 0.1 OUTLIER -65.41 -28.45 69.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.487 176.332 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.08 -45.48 95.4 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 121.049 -0.596 . . . . 0.0 111.874 175.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.571 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 11.3 ptt? -75.64 -17.85 59.87 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' MET . . . . . 0.55 ' HB3' ' O ' ' B' ' 40' ' ' MET . 50.5 ttp -60.13 -54.45 45.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.66 88.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.442 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.571 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 28.4 t70 -66.65 -39.27 88.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.966 -177.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.69 ' HB3' ' NE2' ' A' ' 50' ' ' GLN . 13.0 p -69.31 -44.07 72.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.575 0.226 . . . . 0.0 110.967 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.539 HG23 ' O ' ' B' ' 43' ' ' MET . 34.7 t -59.31 -41.12 83.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-O 121.434 0.635 . . . . 0.0 109.307 174.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -61.88 -56.18 22.02 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.591 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 11.2 p -66.7 -38.75 87.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.784 -175.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.55 -37.86 89.01 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.927 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 56.9 mmm -61.23 -39.57 90.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.496 176.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -63.72 -46.33 85.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.676 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' B' ' 53' ' ' LYS . 19.9 mtpp -60.84 -46.96 88.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.748 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' MET . . . . . 0.424 ' SD ' ' HD3' ' B' ' 62' ' ' ARG . 70.1 mtm -69.16 -41.63 76.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.953 0.406 . . . . 0.0 110.269 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.81 -158.24 38.63 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.53 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.5 141.98 63.32 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.659 2.239 . . . . 0.0 111.887 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 59.04 69.98 1.24 Allowed Pre-proline 0 N--CA 1.465 0.314 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.96 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -88.86 165.62 5.97 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.808 2.338 . . . . 0.0 112.593 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.44 111.06 1.97 Allowed 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.651 2.234 . . . . 0.0 111.638 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -68.14 -21.94 64.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.726 -175.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.72 ' HA ' ' HD3' ' B' ' 64' ' ' ARG . 5.3 p80 -70.45 -25.24 63.09 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.127 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.537 ' O ' ' HG2' ' B' ' 66' ' ' MET . 61.1 ttt180 -72.34 -30.67 64.95 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 176.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.04 -36.67 84.77 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.72 ' HD3' ' HA ' ' B' ' 61' ' ' HIS . 3.0 mtp85 -51.4 -54.26 28.39 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.334 172.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.963 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -66.36 -40.92 90.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.787 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 94.3 mmm -63.33 -29.81 71.05 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.63 -177.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -55.14 -56.25 21.99 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.11 0.481 . . . . 0.0 110.637 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.553 HG22 ' HB1' ' A' ' 72' ' ' ALA . 91.7 m -72.58 -28.15 62.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.035 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -60.35 -54.16 49.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.493 176.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.7 ttt -57.62 -45.32 85.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.002 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.24 -43.12 99.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.358 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.546 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -70.94 -36.66 72.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.287 -178.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.551 ' O ' HG23 ' B' ' 77' ' ' VAL . 50.6 mt-10 -62.23 -44.55 96.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.425 178.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.427 ' O ' HG23 ' B' ' 78' ' ' VAL . 43.6 t -59.64 -47.54 90.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.76 0.314 . . . . 0.0 110.437 175.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.42 86.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.779 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.64 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 45.2 tp10 -61.24 -48.25 82.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.536 176.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.551 HG23 ' O ' ' B' ' 73' ' ' GLU . 85.2 t -57.9 -41.95 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 74' ' ' VAL . 74.0 t -70.71 -47.83 61.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.212 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.85 -31.2 72.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.752 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 5.3 m -85.56 73.22 10.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.4 0.619 . . . . 0.0 110.483 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 72.8 p -153.95 163.53 23.66 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.007 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -62.02 146.47 96.22 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.829 1.686 . . . . 0.0 111.012 175.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -55.44 -32.64 82.91 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 111.884 -176.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -71.98 -22.1 61.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.596 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.464 ' O ' HG23 ' B' ' 89' ' ' VAL . 63.5 m -109.7 -19.02 13.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.611 -174.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -50.12 -46.76 54.06 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.671 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 47.7 t -61.24 -40.95 95.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.756 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.54 -42.2 74.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.958 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.52 HG22 HG12 ' B' ' 31' ' ' VAL . 46.8 t -63.41 -45.4 98.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.71 -50.83 72.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.546 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.58 -34.41 76.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.936 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 60.8 m -66.44 -51.42 57.11 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.18 0.514 . . . . 0.0 110.268 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.8 mm -64.85 -48.35 84.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.348 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.54 -38.36 80.36 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.934 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.19 -36.41 58.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.98 0.419 . . . . 0.0 110.598 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' CYS . . . . . 0.448 ' SG ' HD23 ' B' ' 22' ' ' LEU . 52.9 t -67.97 -32.91 73.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.394 -176.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 1.106 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 6.0 mp -59.79 -42.75 94.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.669 0.271 . . . . 0.0 111.215 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 98' ' ' ARG . 23.8 ttt85 -66.87 -37.5 84.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.952 0.406 . . . . 0.0 110.376 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.74 -52.33 26.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.029 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 70.2 m -55.08 -37.57 66.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.525 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.447 ' HE1' ' HG3' ' B' ' 18' ' ' MET . 17.8 mmt -64.85 -44.63 89.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.754 0.312 . . . . 0.0 110.619 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 14.6 ttm -70.36 -23.8 62.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.994 0.426 . . . . 0.0 111.021 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -89.29 -12.15 41.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.541 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -106.49 -53.91 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 111.464 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.421 HG21 ' HB ' ' B' ' 8' ' ' ILE . 61.6 p -105.41 -23.0 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.18 0.514 . . . . 0.0 110.82 -177.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 98.46 -14.15 62.32 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.557 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 13.0 m -121.15 160.16 24.33 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -177.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 58.9 t -96.91 106.25 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.9 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -73.61 98.73 2.91 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 172.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -80.14 -19.29 47.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.688 -176.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.41 -49.33 67.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.898 0.38 . . . . 0.0 110.372 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -66.59 -50.68 62.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.072 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.644 ' HA ' HD23 ' B' ' 97' ' ' LEU . 19.8 m -54.65 -47.55 73.41 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.158 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ASN . . . . . 0.487 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 11.1 t30 -66.41 -38.13 86.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.676 0.274 . . . . 0.0 110.664 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.65 -45.26 94.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.608 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.544 ' HA ' HD12 ' B' ' 119' ' ' LEU . 95.2 t -60.32 -38.77 78.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.993 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 30.4 mmt -64.01 -36.61 84.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 39.0 mt-30 -72.09 -43.83 64.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' B' ' 116' ' ' VAL . 12.2 mt -54.52 -54.67 38.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.166 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.99 -32.07 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.616 -173.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -74.89 -34.54 62.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 45.6 ttp -69.34 -41.48 76.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.35 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.37 -32.8 74.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.777 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 34.1 t -81.39 -0.31 40.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.168 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -81.92 91.88 6.64 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.999 0.428 . . . . 0.0 110.387 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -65.74 121.66 15.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.549 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 18.3 m -83.31 133.92 34.95 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.111 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.27 10.97 13.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -72.44 91.9 1.41 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.794 175.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -84.99 90.02 7.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.426 0.631 . . . . 0.0 111.834 -174.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 28.7 m -92.9 -15.83 7.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 169.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 2.6 m -98.2 146.74 25.31 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.559 -1.201 . . . . 0.0 109.491 176.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.833 -0.603 . . . . 0.0 109.387 178.137 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 m -93.55 112.69 24.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.024 0.44 . . . . 0.0 110.61 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -144.97 64.95 0.45 Allowed Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.916 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.534 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 16.2 m120 -79.4 -17.97 53.26 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.639 0.733 . . . . 0.0 109.356 174.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 t -145.64 173.61 11.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.514 -1.221 . . . . 0.0 107.719 175.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 63.19 91.78 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 O-C-N 123.718 0.636 . . . . 0.0 109.393 -172.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -40.29 130.6 2.37 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.669 2.913 . . . . 0.0 113.328 -173.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.576 HG21 HG21 ' A' ' 105' ' ' THR . 11.6 pt -70.73 7.58 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.073 -175.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.462 ' O ' HD13 ' A' ' 63' ' ' LEU . 41.4 m95 -78.35 25.61 0.23 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -177.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -85.83 -19.03 31.24 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 169.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -123.48 113.43 29.12 Favored Pre-proline 0 N--CA 1.455 -0.221 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.774 174.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -68.04 -32.76 27.35 Favored 'Trans proline' 0 C--N 1.333 -0.276 0 C-N-CA 122.639 2.226 . . . . 0.0 112.945 -171.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -77.29 -32.03 55.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.748 0.309 . . . . 0.0 110.8 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.58 -44.27 87.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.105 0.478 . . . . 0.0 109.867 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.13 -41.03 95.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.622 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 42.7 ttm -59.54 -33.19 71.08 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.992 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.6 m -65.04 -38.29 90.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.325 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.507 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -64.1 -38.37 90.83 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.826 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -63.18 -46.99 84.5 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.737 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -66.12 -44.23 84.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.764 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -60.58 -33.59 72.94 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.344 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.709 HD21 HD12 ' A' ' 97' ' ' LEU . 48.8 mt -62.69 -43.61 98.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.744 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.1 t -65.46 -38.84 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.441 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -63.6 -44.02 95.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.583 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.1 t -59.38 -49.09 79.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.847 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' HB1' ' SD ' ' A' ' 37' ' ' MET . . . -62.3 -39.18 92.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.025 0.44 . . . . 0.0 111.055 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.1 t -70.68 -28.86 65.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.601 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -87.38 -32.61 19.49 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.884 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 p -71.87 -48.69 44.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.023 0.44 . . . . 0.0 110.471 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.25 13.14 81.59 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.198 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.59 HG13 HD12 ' A' ' 32' ' ' LEU . 14.0 p -78.7 -19.11 13.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.205 0.526 . . . . 0.0 109.999 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 31' ' ' VAL . 6.3 mp -88.34 156.31 19.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.299 177.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.6 p -87.03 171.17 10.93 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.768 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.22 -39.16 81.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.828 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.82 -51.24 70.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.064 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.494 ' HB3' HG13 ' A' ' 77' ' ' VAL . 53.2 mt-30 -63.15 -39.95 96.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.06 -178.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.423 ' SD ' ' HB1' ' A' ' 26' ' ' ALA . 82.9 mmm -64.26 -41.23 97.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.833 -178.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -70.47 -34.62 72.6 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.674 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -63.31 -44.5 94.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.234 0.54 . . . . 0.0 109.804 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.402 ' O ' ' HB3' ' A' ' 43' ' ' MET . 56.5 mmm -60.06 -41.83 93.22 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.423 175.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.72 -44.43 97.92 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.243 177.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.618 ' SD ' ' HG3' ' B' ' 62' ' ' ARG . 45.3 ttp -63.76 -31.79 73.08 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 121.241 -0.184 . . . . 0.0 110.839 178.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.459 ' O ' HG23 ' A' ' 47' ' ' VAL . 45.0 ttp -58.46 -52.35 66.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.926 0.393 . . . . 0.0 110.35 176.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.38 89.17 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.312 0.577 . . . . 0.0 110.779 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.24 -40.69 90.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.46 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.5 t -59.69 -47.93 83.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.701 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.501 ' O ' ' HG2' ' A' ' 51' ' ' MET . 6.4 t -61.87 -40.12 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -63.47 -52.03 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.326 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -61.36 -36.93 81.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.507 -173.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 54' ' ' MET . 15.6 mm100 -70.33 -32.4 70.11 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.015 178.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.501 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 93.6 mmm -66.8 -36.22 81.87 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.628 179.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -80.26 -17.75 51.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.986 0.422 . . . . 0.0 110.674 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HZ1' ' CG ' ' B' ' 45' ' ' ASP . 3.0 mmmm -73.67 -38.13 65.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.294 0.569 . . . . 0.0 110.126 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.563 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 21.0 ptp -94.61 -165.72 1.36 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.591 -174.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -111.45 -162.52 17.33 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.249 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -76.98 -10.59 18.07 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.99 2.46 . . . . 0.0 113.189 -176.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -139.58 77.77 27.74 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.722 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.563 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 58.5 Cg_endo -71.23 162.49 42.33 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.976 2.451 . . . . 0.0 112.611 175.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.407 ' O ' ' HB3' ' A' ' 62' ' ' ARG . 40.1 Cg_endo -67.16 151.56 81.14 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.706 2.271 . . . . 0.0 111.802 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -69.35 -28.92 66.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.355 -175.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.624 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 19.9 p80 -66.71 -25.46 66.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.933 0.397 . . . . 0.0 110.476 178.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.531 ' NH1' ' HG3' ' A' ' 66' ' ' MET . 0.2 OUTLIER -61.95 -36.47 81.53 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 175.623 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 9' ' ' TRP . 66.8 mt -75.59 -36.89 60.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.703 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 28.3 ptt180 -68.94 -37.08 78.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.687 -178.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.01 -46.19 58.14 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.014 0.435 . . . . 0.0 111.032 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.531 ' HG3' ' NH1' ' A' ' 62' ' ' ARG . 96.0 mmm -69.19 -24.04 63.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.839 -178.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -56.69 -51.06 70.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.136 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.502 HG22 ' HB1' ' B' ' 72' ' ' ALA . 7.6 m -71.85 -36.85 70.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.498 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -58.77 -51.04 71.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.634 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.1 ttt -58.86 -46.48 87.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.733 0.301 . . . . 0.0 110.85 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.85 95.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.465 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.552 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -65.68 -34.82 79.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.573 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.487 ' O ' HG23 ' A' ' 77' ' ' VAL . 43.9 mt-10 -62.87 -49.67 73.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.024 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.8 t -57.07 -43.27 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 121.05 0.452 . . . . 0.0 110.672 177.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.42 98.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.989 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.679 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 44.7 tp10 -58.98 -37.28 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.224 176.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.494 HG13 ' HB3' ' A' ' 36' ' ' GLN . 59.3 t -65.54 -38.62 82.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.329 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.3 t -87.52 -40.94 14.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' HB2' HG23 ' A' ' 120' ' ' VAL . . . -66.28 -24.34 66.55 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -173.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.7 p -91.16 7.58 39.94 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 95.4 p -88.74 158.68 47.56 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.467 -177.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.12 141.45 96.46 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.49 2.127 . . . . 0.0 111.332 176.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.71 -16.15 53.06 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.499 2.133 . . . . 0.0 112.204 -173.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -80.41 -7.79 59.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.994 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.5 m -136.96 1.49 2.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.028 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -57.6 -51.89 67.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.17 -178.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 p -66.19 -33.81 76.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.185 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.87 -52.46 50.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.814 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.462 HG13 ' HG ' ' A' ' 32' ' ' LEU . 68.4 t -62.57 -42.02 94.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.347 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.862 HD11 HG11 ' A' ' 120' ' ' VAL . 28.3 tp -63.0 -43.47 98.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.828 -178.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -65.1 -37.73 88.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.649 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 73.9 m -64.58 -47.14 79.79 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.077 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.438 HG23 HD13 ' A' ' 97' ' ' LEU . 1.5 mm -64.09 -49.44 81.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 177.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.61 -42.39 96.11 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.335 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -67.18 -45.42 77.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.904 0.383 . . . . 0.0 110.867 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 69.3 m -72.33 -22.18 61.21 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.883 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.709 HD12 HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -56.69 -50.5 71.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.599 0.714 . . . . 0.0 109.335 172.611 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.445 ' HA ' ' CG2' ' A' ' 108' ' ' VAL . 29.0 ttt180 -57.4 -49.15 77.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.939 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 36.2 mt-10 -68.95 -40.73 78.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.407 -176.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.8 m -56.82 -45.62 82.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.342 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.433 ' SD ' ' HG3' ' A' ' 18' ' ' MET . 15.0 mmt -62.58 -40.58 97.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.946 0.403 . . . . 0.0 110.459 177.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 34.1 ttm -71.4 -26.71 62.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.157 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -82.88 -27.76 30.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.787 0.327 . . . . 0.0 110.883 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.51 -60.53 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.266 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.576 HG21 HG21 ' A' ' 8' ' ' ILE . 69.8 p -97.39 -36.74 10.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.996 0.427 . . . . 0.0 111.068 -176.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.33 -9.37 8.31 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 -176.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.5 p -149.22 160.3 43.5 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 4' ' ' ASN . 2.7 p -93.69 119.45 41.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.109 0.48 . . . . 0.0 112.088 -175.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -76.93 134.85 38.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.413 173.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -86.85 -28.7 22.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.45 -51.59 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 111.318 -175.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -71.53 -44.58 64.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -178.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.62 ' HA ' HD23 ' A' ' 97' ' ' LEU . 30.1 m -61.69 -41.87 98.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -66.85 -41.77 86.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.492 178.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -55.91 -48.53 75.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.011 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.27 -39.46 80.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.308 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 30.4 mmt -68.35 -36.36 79.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.064 0.459 . . . . 0.0 110.465 -176.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -74.4 -38.27 63.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.707 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 72' ' ' ALA . 13.9 mt -60.04 -52.12 66.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.114 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.862 HG11 HD11 ' A' ' 90' ' ' LEU . 13.8 p -63.84 -33.25 60.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.534 -174.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -67.59 -49.24 64.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.361 176.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.434 ' HE1' HD23 ' B' ' 119' ' ' LEU . 34.8 ttp -65.43 -38.98 91.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.534 -177.168 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.507 HD21 HG21 ' B' ' 68' ' ' THR . 6.7 mp -62.55 -22.82 66.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 0.0 111.404 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.8 t -110.88 8.71 22.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.879 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -143.39 102.4 3.95 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.98 0.419 . . . . 0.0 111.814 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -132.95 134.83 45.04 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 172.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.2 p -78.01 28.11 0.18 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -176.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.82 -25.54 66.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.588 0.708 . . . . 0.0 110.612 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -87.57 104.39 16.45 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.541 177.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -79.03 97.19 6.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.627 -173.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 31.1 m -91.92 2.6 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.135 171.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 p -76.14 114.59 14.97 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.064 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 88.3 m . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.423 178.014 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.424 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m -154.26 104.9 2.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.103 0.478 . . . . 0.0 110.669 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -128.86 97.81 0.44 Allowed Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 177.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ASN . . . . . 0.494 ' OD1' ' HB2' ' B' ' 107' ' ' SER . 92.4 m-20 -92.77 12.53 23.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.279 0.561 . . . . 0.0 110.32 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' B' ' 6' ' ' GLN . 37.5 t -142.04 155.33 45.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.021 179.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' B' ' 5' ' ' SER . 93.7 mt-30 70.32 125.88 0.03 OUTLIER Pre-proline 0 N--CA 1.463 0.203 0 O-C-N 124.007 0.817 . . . . 0.0 110.859 -175.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.417 ' HA ' ' OD2' ' B' ' 109' ' ' ASP . 50.1 Cg_exo -53.82 126.08 20.76 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 123.082 2.521 . . . . 0.0 112.785 -177.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 pp -73.73 -6.27 8.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.568 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -73.22 71.28 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.376 0.608 . . . . 0.0 111.989 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.9 p -128.93 -1.13 5.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.805 172.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -136.22 128.74 17.56 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.767 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -69.66 -43.92 2.45 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.528 2.152 . . . . 0.0 112.327 -175.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -66.57 -40.2 88.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.058 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.3 94.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.706 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.09 -42.21 89.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.815 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 43.8 ttm -59.61 -32.32 70.3 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.811 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 50.8 m -62.0 -40.62 96.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.321 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.529 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.99 -40.6 96.74 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.373 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.28 -44.55 96.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.722 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -65.84 -44.35 85.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.85 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -61.67 -32.57 72.76 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.263 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.798 HD21 HD12 ' B' ' 97' ' ' LEU . 40.0 mt -62.83 -42.59 99.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.762 0.315 . . . . 0.0 111.224 177.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 82.4 t -63.99 -39.41 85.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.476 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.08 -47.01 87.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.186 175.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 4.0 t -56.81 -49.53 75.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.286 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.0 90.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.913 0.387 . . . . 0.0 111.179 -178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 44.8 t -69.15 -38.83 79.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.002 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -83.49 -12.4 56.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.585 0.231 . . . . 0.0 111.393 -177.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.492 ' HB2' HG23 ' B' ' 31' ' ' VAL . 26.5 p -91.41 -41.63 10.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.87 0.366 . . . . 0.0 110.608 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.88 16.22 80.55 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.455 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.492 HG23 ' HB2' ' B' ' 29' ' ' SER . 29.5 t -77.56 -32.93 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.219 0.533 . . . . 0.0 110.379 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.563 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.5 mp -94.02 153.79 17.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.87 -175.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 40.9 p -87.83 175.01 8.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.709 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.45 -40.47 78.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.736 0.303 . . . . 0.0 111.159 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.567 ' O ' ' HB2' ' B' ' 39' ' ' ASP . 32.3 t70 -60.71 -39.88 90.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.751 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.563 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 51.8 mt-30 -75.83 -40.27 55.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.803 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 80.3 mmm -63.66 -47.96 79.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.0 -29.56 68.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.019 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.567 ' HB2' ' O ' ' B' ' 35' ' ' ASP . 2.4 t0 -64.11 -50.1 69.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.98 175.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.458 ' O ' ' HB3' ' B' ' 43' ' ' MET . 85.9 mtp -64.73 -30.65 71.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.689 176.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.58 -44.24 96.83 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.879 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 47.2 ttp -65.17 -30.59 71.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 0.0 110.363 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' MET . . . . . 0.458 ' HB3' ' O ' ' B' ' 40' ' ' MET . 43.3 ttp -59.17 -52.35 66.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.641 175.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.68 94.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.118 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.433 ' CG ' ' HZ1' ' A' ' 53' ' ' LYS . 12.3 t70 -57.59 -45.17 85.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.04 177.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -56.9 -49.24 76.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 31.7 t -62.96 -43.81 99.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.832 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -64.37 -41.23 96.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.519 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 36.9 m -65.28 -45.83 82.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 -177.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.88 -35.6 81.64 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.959 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -57.16 -49.4 76.06 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.324 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -78.73 -14.35 59.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 111.368 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' B' ' 49' ' ' SER . 8.3 mmmm -71.13 -13.67 62.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.146 0.498 . . . . 0.0 110.623 173.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' MET . . . . . 0.453 ' SD ' ' HD2' ' B' ' 62' ' ' ARG . 72.2 mtm -118.58 -175.58 2.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.514 -177.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -119.64 -168.05 13.8 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.0 141.34 96.2 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.876 2.384 . . . . 0.0 112.624 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 53.9 t30 59.57 83.62 0.21 Allowed Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.248 -177.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -86.91 159.09 8.81 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.036 2.491 . . . . 0.0 112.227 178.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.408 ' HG2' ' CB ' ' B' ' 62' ' ' ARG . 17.8 Cg_endo -61.0 137.78 74.29 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.992 2.462 . . . . 0.0 112.157 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -75.28 -35.33 61.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.935 -174.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.837 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 30.4 p80 -63.42 -27.57 69.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.408 0.623 . . . . 0.0 109.984 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.618 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 28.7 ttm180 -70.34 -27.1 64.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.199 0.523 . . . . 0.0 109.692 178.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 98.3 mt -74.92 -37.21 62.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.678 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.837 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 25.5 ptt180 -61.55 -37.48 83.93 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.679 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -67.68 -46.82 71.23 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.982 178.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 97.1 mmm -65.24 -30.89 71.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.84 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.422 ' HB3' ' O ' ' B' ' 64' ' ' ARG . 8.9 t-20 -53.27 -55.18 26.66 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.931 176.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.552 HG22 ' HB1' ' A' ' 72' ' ' ALA . 20.5 m -72.35 -28.3 62.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.933 -177.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -61.71 -54.57 40.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.552 176.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 18.8 ttt -57.83 -47.6 82.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.911 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.44 97.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.534 -178.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.502 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -67.58 -37.03 82.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.334 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 44.6 mt-10 -63.3 -46.22 87.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.509 178.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.465 ' O ' HG23 ' B' ' 78' ' ' VAL . 67.6 t -58.51 -47.89 87.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.851 0.358 . . . . 0.0 110.61 176.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.3 87.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.028 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.98 -48.84 80.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.185 177.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 73' ' ' GLU . 84.0 t -60.48 -35.77 65.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.34 -178.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 74' ' ' VAL . 61.6 t -78.31 -41.25 25.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.965 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.413 ' HA ' ' CE2' ' B' ' 86' ' ' TYR . . . -71.18 -44.46 65.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.54 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 3.1 m -84.27 68.48 10.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.611 0.72 . . . . 0.0 110.406 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 83.3 p -139.8 165.87 28.02 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.965 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.52 140.7 74.9 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 121.917 1.745 . . . . 0.0 111.103 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.07 -11.77 32.56 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.273 1.982 . . . . 0.0 111.863 -174.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -96.77 -6.47 36.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.716 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.437 ' O ' HG23 ' B' ' 89' ' ' VAL . 28.6 m -117.21 -13.9 10.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 -177.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' TYR . . . . . 0.442 ' OH ' HG22 ' B' ' 120' ' ' VAL . 17.9 t80 -48.34 -59.55 3.36 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.551 -178.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 9.3 m -59.87 -41.51 91.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.063 -174.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.82 -46.96 85.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.064 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 85' ' ' SER . 88.5 t -63.65 -43.89 98.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.384 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 tt -58.05 -49.36 77.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.417 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -60.85 -31.06 70.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.106 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 52.9 m -69.98 -57.6 4.82 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.095 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' B' ' 93' ' ' ILE . 3.2 mm -60.98 -45.54 98.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.248 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.95 -40.56 95.54 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 121.096 -0.573 . . . . 0.0 113.222 -177.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.16 -38.86 60.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.707 0.289 . . . . 0.0 111.23 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' CYS . . . . . 0.561 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 93.7 m -73.93 -27.09 60.85 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.325 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.798 HD12 HD21 ' B' ' 22' ' ' LEU . 0.8 OUTLIER -51.56 -40.31 59.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.394 0.616 . . . . 0.0 110.248 174.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.483 ' HG3' HG21 ' B' ' 108' ' ' VAL . 62.1 ttt-85 -66.16 -46.41 77.54 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.406 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.561 ' HG2' ' HA ' ' B' ' 96' ' ' CYS . 10.3 pt-20 -81.58 -30.79 32.87 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.599 -0.441 . . . . 0.0 111.781 -176.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 58.2 m -58.13 -42.49 85.91 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 120.718 0.295 . . . . 0.0 110.374 176.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.454 ' SD ' ' HG3' ' B' ' 18' ' ' MET . 12.5 mmt -65.1 -41.57 94.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.3 175.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 28.2 ttm -67.04 -28.49 68.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.133 -178.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' B' ' 99' ' ' GLU . 83.7 mm-40 -85.51 -16.95 37.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.976 0.417 . . . . 0.0 110.618 176.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.99 -47.66 7.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 70.1 p -110.75 -42.55 4.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.081 0.467 . . . . 0.0 111.071 -178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 130.7 -14.26 5.54 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -175.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' SER . . . . . 0.494 ' HB2' ' OD1' ' B' ' 4' ' ' ASN . 13.2 p -137.5 179.09 6.62 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.069 -0.565 . . . . 0.0 109.487 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.483 HG21 ' HG3' ' B' ' 98' ' ' ARG . 2.5 p -109.55 117.07 53.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.371 0.605 . . . . 0.0 111.79 -176.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ASP . . . . . 0.417 ' OD2' ' HA ' ' B' ' 7' ' ' PRO . 14.0 t0 -73.98 102.45 4.14 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.308 174.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -73.99 -27.6 61.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 -177.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.34 -50.27 68.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.913 0.387 . . . . 0.0 110.547 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.506 ' O ' HG23 ' B' ' 116' ' ' VAL . 90.6 t80 -64.88 -47.48 77.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.04 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.638 ' HA ' HD23 ' B' ' 97' ' ' LEU . 33.4 m -57.31 -45.52 84.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.404 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -64.38 -42.73 95.99 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.405 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.14 -44.43 94.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.105 -177.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.571 ' HA ' HD12 ' B' ' 119' ' ' LEU . 60.9 t -60.09 -35.93 64.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.843 0.354 . . . . 0.0 110.943 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 26.3 mmt -70.42 -35.16 73.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.999 0.428 . . . . 0.0 110.37 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -71.18 -39.92 71.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.321 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' B' ' 116' ' ' VAL . 15.2 mt -58.15 -53.55 56.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.257 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 120' ' ' VAL . . . . . 0.442 HG22 ' OH ' ' B' ' 86' ' ' TYR . 14.1 p -63.44 -34.05 65.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.997 -176.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -65.46 -48.02 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.778 176.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 34.5 ttp -62.63 -37.36 86.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.682 -177.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.401 HD13 ' O ' ' B' ' 119' ' ' LEU . 8.0 mp -61.53 -25.64 67.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.886 0.374 . . . . 0.0 111.198 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 34.3 t -102.66 6.13 39.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.908 0.385 . . . . 0.0 110.674 178.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -110.93 31.62 5.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.258 0.551 . . . . 0.0 111.168 -176.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -95.23 118.37 31.89 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.74 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 19.9 m -123.22 98.27 5.8 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.087 176.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.82 -27.88 62.22 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.73 0.776 . . . . 0.0 110.029 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -107.53 112.84 25.79 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.352 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.409 ' H ' ' HG2' ' B' ' 130' ' ' GLU . 7.2 pt-20 -82.68 134.74 35.15 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 27.2 m -81.0 20.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.963 -168.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 48.4 m -95.34 150.64 20.04 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.698 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 21.3 m . . . . . 0 C--O 1.247 0.974 0 CA-C-O 118.587 -0.72 . . . . 0.0 110.372 -178.333 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.809 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 t -171.43 174.09 4.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 132.15 -34.5 2.52 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.909 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -104.37 -16.99 14.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.254 0.549 . . . . 0.0 110.036 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 10.7 m -106.77 124.71 50.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.043 174.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 5' ' ' SER . 15.0 mm100 67.68 170.11 0.11 Allowed Pre-proline 0 CA--C 1.537 0.448 0 O-C-N 123.646 0.591 . . . . 0.0 111.447 -176.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -64.31 -169.1 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.701 2.267 . . . . 0.0 112.499 174.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.2 pt -70.89 -3.78 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -176.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -76.61 78.33 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.711 0.767 . . . . 0.0 111.698 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.45 ' HA ' HD13 ' A' ' 63' ' ' LEU . 26.8 m -137.2 -34.36 0.72 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.811 171.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -101.54 114.85 65.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.277 171.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -59.69 -43.15 40.54 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.615 2.21 . . . . 0.0 111.814 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -68.11 -36.73 80.22 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.108 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.99 -41.8 95.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.457 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.52 86.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.379 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.429 ' CE ' ' HA ' ' A' ' 48' ' ' ASN . 42.0 ttm -60.89 -25.36 66.66 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.833 178.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.0 m -62.61 -41.0 98.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.194 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.617 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 7.5 ttt -64.9 -42.42 94.78 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 175.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -59.58 -44.26 93.4 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.857 -179.631 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.407 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 9.1 m120 -71.02 -45.54 63.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.366 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -61.06 -34.03 74.25 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.92 0.39 . . . . 0.0 110.613 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.669 HD11 HD12 ' A' ' 97' ' ' LEU . 12.2 tp -63.41 -48.64 76.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.207 177.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.482 HG22 ' HB3' ' A' ' 40' ' ' MET . 88.0 t -64.09 -41.34 92.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.772 178.534 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.661 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 47.2 mt-30 -60.39 -46.71 89.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.548 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.62 -48.44 77.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.761 0.315 . . . . 0.0 110.882 176.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.4 96.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.128 0.489 . . . . 0.0 111.079 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.2 t -66.85 -28.03 68.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.921 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.661 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 32.8 mtp180 -86.47 -45.11 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.502 ' HB2' HG23 ' A' ' 31' ' ' VAL . 19.0 p -58.63 -52.24 66.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.951 0.405 . . . . 0.0 110.563 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.71 19.51 70.61 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.279 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.502 HG23 ' HB2' ' A' ' 29' ' ' SER . 7.8 t -75.73 -26.41 17.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.681 0.753 . . . . 0.0 109.097 175.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.459 ' HG ' HG13 ' A' ' 89' ' ' VAL . 5.1 mp -93.99 152.31 18.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.376 -177.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.8 p -84.76 172.97 11.05 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.478 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.78 77.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.847 0.356 . . . . 0.0 110.836 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -60.61 -53.12 61.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.132 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.504 ' HB3' HG13 ' A' ' 77' ' ' VAL . 51.7 mt-30 -60.47 -38.92 85.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.817 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 78.3 mmm -64.9 -39.46 93.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.616 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.611 ' O ' ' HG2' ' A' ' 42' ' ' MET . 69.1 m-20 -64.4 -43.61 93.89 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.076 -0.249 . . . . 0.0 110.737 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -45.37 81.23 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.363 0.414 . . . . 0.0 110.762 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.514 ' O ' ' HB3' ' A' ' 43' ' ' MET . 90.4 mtp -70.08 -35.64 74.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.821 0.343 . . . . 0.0 111.174 178.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.85 -49.77 74.94 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.04 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.611 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 9.2 ptm -69.83 -20.82 63.42 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.222 -0.191 . . . . 0.0 111.121 178.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.514 ' HB3' ' O ' ' A' ' 40' ' ' MET . 54.0 ttp -59.26 -56.53 20.92 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 109.948 173.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.01 -39.64 90.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.567 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.576 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 6.5 t70 -59.16 -47.98 83.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.853 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.3 m -61.25 -41.32 96.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.833 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.502 ' HA ' ' HE1' ' A' ' 66' ' ' MET . 40.4 t -62.12 -36.3 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.277 0.56 . . . . 0.0 110.339 177.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.429 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 39.7 t-20 -66.02 -47.38 74.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.578 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 54.6 m -67.76 -25.94 65.87 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.559 ' O ' ' HG2' ' A' ' 54' ' ' MET . 64.4 mt-30 -81.99 -15.95 51.98 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.2 177.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.497 ' HA ' ' HG2' ' A' ' 54' ' ' MET . 34.2 mtp -74.35 -21.26 59.77 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 168.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -83.16 -27.85 29.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.476 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HE3' ' HB3' ' A' ' 53' ' ' LYS . 25.4 mmmt -67.48 -31.41 71.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.649 173.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.855 ' HB2' ' HB3' ' A' ' 58' ' ' PRO . 22.3 ptp -101.98 -165.73 1.22 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.629 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.404 ' O ' ' HD3' ' A' ' 58' ' ' PRO . . . -151.81 -147.58 4.61 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.368 -178.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -69.84 -14.15 35.44 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.372 2.715 . . . . 0.0 112.439 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -144.67 72.99 15.4 Favored Pre-proline 0 C--N 1.316 -0.873 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.83 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.855 ' HB3' ' HB2' ' A' ' 54' ' ' MET . 57.2 Cg_endo -71.4 159.03 52.76 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.82 2.347 . . . . 0.0 113.389 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.603 ' HG2' ' HG2' ' A' ' 62' ' ' ARG . 36.4 Cg_endo -66.84 129.43 20.87 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.925 2.417 . . . . 0.0 111.261 174.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -61.99 -20.02 63.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.843 -176.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.447 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 48.7 m80 -62.11 -33.63 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.277 178.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.603 ' HG2' ' HG2' ' A' ' 59' ' ' PRO . 30.1 mmt180 -62.06 -42.57 99.33 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 10' ' ' THR . 93.9 mt -62.64 -48.91 77.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.035 -177.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 61' ' ' HIS . 4.0 ptm180 -64.34 -40.77 96.54 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.699 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -72.98 -44.71 60.74 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -177.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.502 ' HE1' ' HA ' ' A' ' 47' ' ' VAL . 79.0 mtp -71.71 -20.97 61.84 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.77 -176.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -55.59 -53.88 50.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.161 173.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.6 m -72.73 -34.04 66.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.624 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -59.31 -47.77 84.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.704 -178.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.1 ttt -61.53 -42.95 99.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.759 0.314 . . . . 0.0 110.866 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.49 86.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.202 -178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.563 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -63.49 -37.28 86.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.524 ' O ' HG23 ' A' ' 77' ' ' VAL . 47.7 mt-10 -65.22 -37.05 86.06 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.79 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.25 -45.1 86.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.002 0.43 . . . . 0.0 110.553 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.59 97.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.507 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.479 ' OE1' ' HA ' ' B' ' 65' ' ' ALA . 10.7 pt-20 -62.29 -35.88 80.38 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 73' ' ' GLU . 49.7 t -66.4 -45.86 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.91 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.82 -41.54 92.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.695 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.18 -30.91 70.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.755 -179.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.0 m -82.43 71.46 9.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.562 0.696 . . . . 0.0 110.404 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.4 ' HB3' ' NE2' ' A' ' 36' ' ' GLN . 73.9 p -154.56 167.95 12.91 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.974 178.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.89 134.81 62.65 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.649 1.566 . . . . 0.0 110.109 172.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.69 -13.06 34.48 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.43 2.086 . . . . 0.0 112.31 -171.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -88.81 -23.2 22.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.775 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 t -104.6 -10.63 17.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.22 0.534 . . . . 0.0 109.793 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -45.58 -53.79 8.58 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.474 176.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.1 m -59.14 -36.19 74.82 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.326 -177.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.75 62.08 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.942 0.401 . . . . 0.0 110.681 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.459 HG13 ' HG ' ' A' ' 32' ' ' LEU . 63.7 t -62.09 -43.34 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.092 178.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.74 -49.04 77.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.256 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -59.56 -40.59 87.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.07 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.2 m -67.16 -48.91 66.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -178.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.498 ' HA ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -63.79 -48.51 86.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.621 178.222 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.31 -43.35 75.6 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.503 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.474 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -69.39 -46.89 65.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.632 0.253 . . . . 0.0 111.02 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.1 m -70.02 -18.13 63.29 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -175.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 113' ' ' THR . 3.8 mp -63.35 -50.58 69.41 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.324 0.583 . . . . 0.0 109.728 172.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.562 ' HG3' HG21 ' A' ' 108' ' ' VAL . 68.9 ttt180 -59.99 -43.29 95.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.445 178.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 43.6 mt-10 -63.66 -50.26 69.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.983 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 71.6 m -55.18 -45.68 75.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.792 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.54 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 13.3 mmt -59.41 -43.13 93.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.066 0.46 . . . . 0.0 111.012 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.5 ttm -69.12 -25.99 64.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.198 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -88.96 -24.05 22.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.774 0.321 . . . . 0.0 111.089 178.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.88 -56.84 3.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.458 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 80.5 p -107.71 -29.68 8.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.037 0.446 . . . . 0.0 111.0 -176.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.77 -13.11 32.38 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.4 m -127.58 147.37 50.34 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.562 HG21 ' HG3' ' A' ' 98' ' ' ARG . 3.4 p -96.78 117.16 40.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.264 0.554 . . . . 0.0 111.343 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -77.99 113.41 15.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.343 172.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -81.66 -21.54 38.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.917 -175.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.78 -51.44 68.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.89 0.376 . . . . 0.0 110.63 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.58 -51.75 57.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.342 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.687 ' HA ' HD23 ' A' ' 97' ' ' LEU . 20.1 m -51.44 -47.09 63.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.976 178.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.545 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 65.2 t30 -69.73 -40.99 75.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.548 0.213 . . . . 0.0 110.721 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -56.87 -43.46 81.23 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.97 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.539 HG21 HD21 ' A' ' 97' ' ' LEU . 93.9 t -62.45 -36.86 76.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.83 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 23.4 mmt -67.39 -36.48 81.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.035 0.445 . . . . 0.0 109.909 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 114' ' ' ASN . 79.6 mt-30 -66.89 -49.84 64.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.829 176.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.3 mt -56.68 -50.09 73.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.859 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.8 p -65.17 -32.61 59.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.603 -173.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -73.49 -39.67 64.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.198 0.523 . . . . 0.0 110.182 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 35.2 ttp -70.35 -36.98 74.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.472 -177.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 80.0 mt -74.03 0.48 13.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.204 0.526 . . . . 0.0 111.339 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.8 m -122.55 9.06 9.58 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.915 174.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -95.65 22.79 6.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.552 -175.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -115.36 71.14 0.76 Allowed 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.171 174.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.1 p -142.98 104.8 4.36 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.631 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -95.41 -0.57 52.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.447 0.641 . . . . 0.0 109.998 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -91.35 134.74 34.34 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.351 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' A' ' 130' ' ' GLU . 0.6 OUTLIER -96.65 143.15 27.88 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.722 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.2 m -94.8 -12.28 8.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.374 -174.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.0 p -71.48 107.48 4.41 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.901 175.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.3 m . . . . . 0 C--N 1.321 -0.665 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.745 -176.121 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -176.37 158.19 1.81 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.34 -36.82 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.39 -0.91 . . . . 0.0 113.28 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -109.74 -9.06 14.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.125 0.463 . . . . 0.0 111.167 -175.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.5 p -142.27 -176.09 4.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 70.35 158.6 0.16 Allowed Pre-proline 0 CA--C 1.532 0.254 0 O-C-N 123.919 0.762 . . . . 0.0 112.334 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -58.6 167.15 5.42 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.098 2.532 . . . . 0.0 112.573 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.608 ' HB ' HG21 ' B' ' 105' ' ' THR . 3.5 pt -74.79 -0.73 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.359 -173.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.422 ' CZ3' ' HB3' ' B' ' 66' ' ' MET . 91.0 m95 -79.23 29.35 0.22 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.137 0.494 . . . . 0.0 111.581 -177.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.1 m -88.91 -18.99 26.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.449 173.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.579 ' HB3' ' HB3' ' B' ' 14' ' ' ALA . 21.9 t-20 -131.44 125.33 20.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.745 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -69.01 -44.8 2.34 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.498 2.132 . . . . 0.0 112.798 -176.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -66.95 -41.31 87.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.96 0.409 . . . . 0.0 110.5 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' B' ' 11' ' ' ASN . . . -63.08 -43.62 98.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.782 178.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.488 ' HA ' HD12 ' B' ' 8' ' ' ILE . . . -65.98 -38.93 89.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.356 177.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 47.3 ttm -61.77 -25.31 67.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.88 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.3 m -66.22 -35.47 80.51 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.897 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.2 OUTLIER -64.73 -43.33 93.72 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 175.135 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.2 -43.82 98.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.698 177.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -64.79 -50.48 66.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.964 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -62.38 -30.23 71.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.587 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.667 HD11 HD12 ' B' ' 97' ' ' LEU . 13.8 tp -63.63 -49.06 74.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.629 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.542 HG22 ' HB3' ' B' ' 40' ' ' MET . 59.6 t -63.46 -41.3 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.348 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 54.3 mt-30 -59.23 -48.09 82.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.723 177.104 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 49.3 t -61.8 -34.53 76.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.886 0.374 . . . . 0.0 110.745 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.94 79.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.109 0.481 . . . . 0.0 110.955 177.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 30.4 t -72.23 -32.29 66.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.188 0.518 . . . . 0.0 110.353 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' B' ' 24' ' ' GLN . 58.8 mtp85 -71.6 -32.44 68.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.107 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.402 ' HB2' HG23 ' B' ' 31' ' ' VAL . 15.3 p -80.07 -49.79 11.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.469 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.87 26.8 52.56 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.694 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' B' ' 29' ' ' SER . 20.2 t -84.37 -27.64 7.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.319 0.581 . . . . 0.0 110.59 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.428 ' N ' HD12 ' B' ' 32' ' ' LEU . 5.5 mp -92.19 155.17 18.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.371 -171.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 56.7 p -84.14 171.73 12.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.645 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.32 88.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.502 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.81 -40.21 91.84 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.064 0.459 . . . . 0.0 109.914 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.431 ' HB3' HG13 ' B' ' 77' ' ' VAL . 52.0 mt-30 -71.47 -42.06 68.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.674 178.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 85.7 mmm -64.98 -43.54 92.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.322 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.438 ' O ' ' HG2' ' B' ' 42' ' ' MET . 27.6 m-20 -62.17 -42.06 98.91 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.211 176.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.433 ' HB3' HG22 ' B' ' 77' ' ' VAL . 3.8 t70 -59.52 -45.24 92.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.134 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.566 ' O ' ' HB3' ' B' ' 43' ' ' MET . 90.9 mtp -68.8 -36.48 78.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.122 177.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.3 -51.14 60.6 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.626 177.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.501 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 4.8 ptm -74.13 -15.29 61.04 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.03 178.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' MET . . . . . 0.566 ' HB3' ' O ' ' B' ' 40' ' ' MET . 49.5 ttp -60.43 -51.38 69.73 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 171.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.65 -33.89 76.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.204 176.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.501 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 22.3 t70 -66.11 -36.44 83.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.909 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 38.7 m -67.95 -38.28 82.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 0.0 110.205 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 43' ' ' MET . 52.7 t -62.7 -41.54 92.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 121.413 0.625 . . . . 0.0 109.42 173.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.86 -42.84 94.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.35 175.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 50.6 m -63.83 -30.62 71.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.288 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.627 ' O ' ' HG2' ' B' ' 54' ' ' MET . 66.5 mt-30 -81.83 -19.24 41.51 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.071 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' MET . . . . . 0.567 ' HA ' ' HG2' ' B' ' 54' ' ' MET . 22.5 mtp -76.87 -27.68 55.14 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.978 175.271 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -85.11 -17.63 36.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.064 0.459 . . . . 0.0 110.272 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -73.06 -33.09 65.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.808 170.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' MET . . . . . 0.627 ' HG2' ' O ' ' B' ' 50' ' ' GLN . 23.1 ptp -97.33 -159.95 0.77 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.39 174.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' GLY . . . . . 0.428 ' HA3' ' HD2' ' B' ' 56' ' ' PRO . . . -176.85 -138.46 2.94 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.518 178.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' PRO . . . . . 0.428 ' HD2' ' HA3' ' B' ' 55' ' ' GLY . 38.7 Cg_endo -65.49 112.34 2.11 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.559 2.172 . . . . 0.0 111.415 176.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 64.77 86.51 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.255 -175.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.498 ' HB3' ' HB2' ' B' ' 54' ' ' MET . 97.0 Cg_endo -85.34 161.77 11.23 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.708 2.272 . . . . 0.0 113.333 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.614 ' HG2' ' HG2' ' B' ' 62' ' ' ARG . 55.3 Cg_endo -72.93 137.73 27.28 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.852 2.368 . . . . 0.0 112.06 177.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -57.22 -32.98 67.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.788 -177.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.408 ' CE1' ' HB2' ' A' ' 38' ' ' ASP . 95.1 m-70 -56.74 -40.07 75.1 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.831 0.348 . . . . 0.0 111.236 -178.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.614 ' HG2' ' HG2' ' B' ' 59' ' ' PRO . 36.8 mmt180 -60.85 -40.58 93.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.849 -177.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.02 -40.56 78.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.59 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.453 ' HG2' ' OE2' ' A' ' 76' ' ' GLU . 14.4 ttp-105 -59.76 -46.77 88.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.115 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.479 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -68.91 -37.45 78.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.178 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.422 ' HB3' ' CZ3' ' B' ' 9' ' ' TRP . 0.0 OUTLIER -59.84 -38.32 81.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.251 179.35 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -55.98 -50.74 69.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.119 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.563 HG22 ' HB1' ' A' ' 72' ' ' ALA . 1.9 m -74.12 -42.6 59.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.087 -177.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -60.12 -53.34 58.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.622 -177.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.3 ttt -59.5 -43.33 93.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.826 0.346 . . . . 0.0 110.992 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' ALA . . . . . 0.408 ' HB2' ' CE1' ' B' ' 112' ' ' PHE . . . -65.3 -43.38 91.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.5 -35.45 79.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.972 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.576 ' O ' HG23 ' B' ' 77' ' ' VAL . 47.6 mt-10 -62.74 -43.41 98.87 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 110.316 177.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.84 -45.4 98.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.063 0.458 . . . . 0.0 110.712 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.27 -43.25 99.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.552 -178.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.499 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 6.4 pt-20 -67.91 -34.67 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.428 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 73' ' ' GLU . 55.6 t -61.33 -41.11 88.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.906 0.384 . . . . 0.0 110.261 176.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.7 t -73.71 -49.96 32.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.788 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.58 91.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.838 -177.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 8.3 m -84.55 74.5 10.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.542 0.687 . . . . 0.0 110.338 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.3 p -153.54 169.26 10.12 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 114.883 -1.053 . . . . 0.0 108.518 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.98 137.45 72.19 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.768 1.646 . . . . 0.0 110.678 172.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.56 -17.54 58.86 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.429 2.086 . . . . 0.0 111.94 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -74.02 -22.91 59.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.131 178.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 5.9 p -117.37 -7.43 11.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.518 -176.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -51.96 -51.04 59.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.759 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 12.5 p -63.26 -39.55 94.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.179 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.09 77.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.768 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.16 -42.26 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.359 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 tt -58.55 -54.1 50.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.748 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -61.25 -36.61 80.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.825 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.8 m -64.8 -53.33 48.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.66 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.7 OUTLIER -58.25 -44.19 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.025 179.036 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.99 -39.01 91.28 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.728 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.11 -43.74 56.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.759 0.314 . . . . 0.0 110.496 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 90.2 m -58.91 -38.19 78.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.316 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.897 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 1.9 mp -54.6 -49.47 70.37 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.648 0.261 . . . . 0.0 111.43 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -59.94 -45.83 91.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.564 -176.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.25 -44.68 68.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.083 -177.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 69.2 m -52.81 -38.98 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 12.4 mmt -62.15 -49.08 77.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.888 0.375 . . . . 0.0 110.902 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 29.6 ttm -67.42 -28.61 68.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -87.1 -0.95 57.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.304 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -112.0 -54.16 2.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.332 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.608 HG21 ' HB ' ' B' ' 8' ' ' ILE . 81.4 p -109.54 -17.08 13.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.115 0.483 . . . . 0.0 111.281 -176.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.25 -3.83 76.63 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.556 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 14.8 m -131.8 156.6 45.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 75.2 t -103.5 114.71 43.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.876 0.37 . . . . 0.0 110.865 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -84.71 130.27 34.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.217 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -92.68 -27.33 17.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.182 -177.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.2 86.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.989 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.439 ' O ' HG23 ' B' ' 116' ' ' VAL . 83.0 t80 -71.5 -51.11 25.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.323 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.633 ' HA ' HD23 ' B' ' 97' ' ' LEU . 18.2 m -56.05 -39.66 72.36 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.374 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -74.04 -39.76 63.3 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.443 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.76 -46.0 88.46 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.478 HG21 HD21 ' B' ' 97' ' ' LEU . 87.7 t -59.02 -40.29 80.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.28 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 27.1 mmt -65.19 -37.75 88.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -71.16 -44.63 65.14 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' B' ' 116' ' ' VAL . 9.7 mt -52.67 -49.29 65.53 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.484 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.4 p -71.65 -40.64 70.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.686 -173.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -67.61 -33.25 74.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.773 0.32 . . . . 0.0 110.74 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 42.7 ttp -62.2 -46.47 88.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.688 178.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 98.5 mt -68.69 -26.17 65.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.732 -179.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 40.9 t -71.65 -22.39 61.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.166 0.507 . . . . 0.0 110.74 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -97.25 20.83 10.84 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.002 -176.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -107.16 25.41 11.42 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.175 0.988 . . . . 0.0 108.963 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 5.5 p -103.54 144.36 31.52 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.045 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -131.05 44.26 2.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.126 0.488 . . . . 0.0 110.796 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -128.43 138.29 52.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.847 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.02 157.25 19.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.888 0.375 . . . . 0.0 111.218 -177.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 17.4 m -127.72 11.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.646 -176.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 2.4 p -71.78 136.25 47.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.158 0.504 . . . . 0.0 111.895 -176.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 26.6 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.951 -0.547 . . . . 0.0 110.014 178.69 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 112.213 -0.355 . . . . 0.0 112.213 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -111.98 171.03 7.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.717 0.294 . . . . 0.0 111.011 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 93.03 -58.7 2.42 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.157 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -161.17 152.12 18.47 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 m -77.27 122.79 25.57 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -81.32 117.9 70.07 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.003 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.564 ' HA ' ' OD2' ' A' ' 109' ' ' ASP . 71.6 Cg_exo -48.64 130.63 22.68 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 122.931 2.421 . . . . 0.0 112.362 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.511 HG21 HG21 ' A' ' 105' ' ' THR . 5.6 pt -79.78 -1.82 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.407 -175.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -77.18 41.85 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.353 0.597 . . . . 0.0 111.655 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.4 p -105.83 -11.25 16.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.954 170.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.48 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 34.3 m-80 -127.1 124.0 23.68 Favored Pre-proline 0 N--CA 1.455 -0.214 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.461 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 11' ' ' ASN . 16.1 Cg_exo -65.04 -47.51 4.66 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.948 2.432 . . . . 0.0 113.175 -175.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -78.59 -33.62 47.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.958 -176.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.57 92.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.117 0.484 . . . . 0.0 110.545 177.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -38.43 80.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.548 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 42.0 ttm -61.17 -32.09 71.83 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.55 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.0 m -61.57 -37.05 82.42 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.987 177.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.974 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -69.3 -43.37 73.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.535 178.5 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -59.34 -44.7 92.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.356 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -60.89 -46.8 89.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.011 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.58 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 95.6 m-20 -63.84 -31.92 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.346 -178.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.5 HD21 HD12 ' A' ' 97' ' ' LEU . 21.4 mt -65.41 -41.52 93.52 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.482 176.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.73 -52.09 63.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.475 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.58 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 12.1 pt20 -60.36 -39.01 85.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.222 0.534 . . . . 0.0 110.346 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.8 t -65.29 -41.39 94.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.629 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.522 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -66.71 -40.53 88.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.745 177.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.2 t -64.89 -36.79 85.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.546 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -66.87 -49.53 65.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.121 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 p -63.39 -49.18 74.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -177.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.79 22.0 78.67 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.165 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.425 ' CG1' HD12 ' A' ' 32' ' ' LEU . 14.6 p -84.3 -15.86 10.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.438 0.637 . . . . 0.0 109.513 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.522 HD13 ' HB1' ' A' ' 26' ' ' ALA . 5.0 mp -99.06 156.32 16.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.079 178.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.9 p -93.12 174.73 7.08 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.611 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.33 -36.23 81.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.828 0.347 . . . . 0.0 110.638 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -53.55 -54.94 30.2 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.794 174.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.656 ' HB3' HG13 ' A' ' 77' ' ' VAL . 46.2 mt-30 -67.81 -37.68 82.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.443 -178.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 85.0 mmm -66.15 -37.51 85.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.488 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.433 ' HB3' ' HE1' ' B' ' 61' ' ' HIS . 27.7 t70 -76.27 -30.53 57.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.178 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.421 ' OD2' ' HB2' ' B' ' 65' ' ' ALA . 1.5 m-20 -58.78 -50.59 73.37 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.982 172.296 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.486 ' O ' ' HB3' ' A' ' 43' ' ' MET . 91.2 mtp -67.27 -31.38 71.68 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.614 177.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.17 -45.52 95.86 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.743 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 49.3 ttp -66.67 -30.62 70.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 110.528 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.486 ' HB3' ' O ' ' A' ' 40' ' ' MET . 46.9 ttp -56.04 -53.7 53.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.989 0.424 . . . . 0.0 110.484 176.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.86 97.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.528 178.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -60.96 -39.73 90.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.169 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.6 t -62.25 -48.94 77.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.922 0.392 . . . . 0.0 110.637 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 43' ' ' MET . 24.0 t -59.87 -35.55 61.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.133 178.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -72.16 -49.96 31.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.205 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.627 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 39.0 m -63.22 -32.05 73.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.708 -174.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.491 ' HG3' ' HE2' ' A' ' 54' ' ' MET . 5.1 tp-100 -66.33 -36.16 82.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.114 0.483 . . . . 0.0 109.819 177.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.0 mtp -75.29 -36.36 61.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.603 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.627 ' HG2' ' HA ' ' A' ' 49' ' ' SER . 9.9 pt20 -74.39 -18.27 60.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.041 0.448 . . . . 0.0 110.938 178.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -76.0 -46.84 27.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.795 174.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.822 ' HE1' ' HD3' ' A' ' 62' ' ' ARG . 62.4 mtm -85.03 -177.22 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.191 -174.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -105.45 -154.2 21.74 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.253 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.97 137.23 37.24 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.512 2.141 . . . . 0.0 112.359 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 60.66 81.83 0.23 Allowed Pre-proline 0 N--CA 1.463 0.215 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.429 -178.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.82 158.3 51.7 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.498 2.132 . . . . 0.0 111.929 175.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.515 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 24.3 Cg_endo -61.65 139.09 79.18 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.927 2.418 . . . . 0.0 112.029 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -60.87 -32.52 71.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.323 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -68.1 -21.92 64.93 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.84 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.822 ' HD3' ' HE1' ' A' ' 54' ' ' MET . 0.5 OUTLIER -64.91 -37.64 88.32 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 176.017 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.436 HD23 HH21 ' A' ' 62' ' ' ARG . 47.4 mt -70.12 -34.78 73.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.427 177.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.448 HH22 ' HA ' ' B' ' 36' ' ' GLN . 2.9 tmm_? -61.59 -38.28 87.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.654 174.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.467 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -76.75 -51.09 12.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.522 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 89.5 mmm -67.96 -23.45 65.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.02 -173.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -56.3 -57.29 12.87 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.538 HG22 ' HB1' ' B' ' 72' ' ' ALA . 6.8 m -68.32 -35.22 77.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.793 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.9 -59.03 6.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.852 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.41 ' HG3' ' SD ' ' A' ' 43' ' ' MET . 21.1 ttt -57.59 -45.52 85.18 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.043 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.37 88.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.502 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.59 -38.26 80.5 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.358 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 77' ' ' VAL . 48.8 mt-10 -61.86 -48.32 81.06 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.216 -0.194 . . . . 0.0 110.643 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 78' ' ' VAL . 47.0 t -57.24 -47.68 83.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.883 0.373 . . . . 0.0 110.571 176.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.19 -42.99 92.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.794 ' OE1' ' HA ' ' B' ' 65' ' ' ALA . 0.6 OUTLIER -62.66 -46.38 88.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.656 177.26 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.656 HG13 ' HB3' ' A' ' 36' ' ' GLN . 56.4 t -54.1 -39.34 41.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.582 178.137 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.468 HG22 HG12 ' A' ' 89' ' ' VAL . 77.1 t -73.14 -47.5 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.197 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.435 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . . . -65.3 -30.12 70.94 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -174.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 m -90.92 19.98 5.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.211 0.529 . . . . 0.0 111.485 -175.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.4 ' OG ' ' HA ' ' A' ' 86' ' ' TYR . 79.7 p -90.03 162.88 34.01 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 176.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.27 145.46 87.13 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.162 1.908 . . . . 0.0 111.282 173.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -64.36 -13.34 37.75 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.405 2.07 . . . . 0.0 112.324 -175.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -81.76 -14.81 55.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.882 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.2 m -132.13 4.91 4.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.848 -174.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' A' ' 79' ' ' ALA . 18.4 t80 -59.21 -51.61 69.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.0 t -71.37 -27.28 63.23 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.38 -51.37 52.81 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.705 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.468 HG12 HG22 ' A' ' 78' ' ' VAL . 62.8 t -64.03 -40.65 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.6 tt -58.29 -54.15 50.27 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.624 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -57.33 -40.82 78.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.034 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.9 m -62.21 -52.92 61.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.453 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.436 ' HA ' HD13 ' A' ' 93' ' ' ILE . 1.3 mm -65.93 -50.01 72.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.85 -33.1 71.85 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.161 -0.543 . . . . 0.0 113.348 -175.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.58 -35.93 26.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.787 0.327 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.9 t -79.27 -20.57 47.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.213 -173.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.974 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 3.5 mp -57.85 -41.91 83.34 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.065 0.459 . . . . 0.0 110.386 175.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.585 ' HG3' HG21 ' A' ' 108' ' ' VAL . 79.3 ttt180 -63.71 -37.72 88.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.285 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -73.15 -50.78 20.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.0 m -55.09 -41.02 71.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.4 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.458 ' SD ' ' HG3' ' A' ' 18' ' ' MET . 9.9 mmt -62.57 -47.77 82.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.934 0.397 . . . . 0.0 111.009 177.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.8 ttm -68.14 -32.98 73.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.239 -176.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -81.99 -12.13 58.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.858 0.361 . . . . 0.0 110.959 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.59 -60.87 1.67 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.813 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.511 HG21 HG21 ' A' ' 8' ' ' ILE . 65.2 p -93.85 -51.32 4.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.509 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 139.11 -25.75 2.76 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -175.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 48.0 m -120.1 -174.82 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.585 HG21 ' HG3' ' A' ' 98' ' ' ARG . 4.8 p -117.51 123.4 71.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.301 178.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.564 ' OD2' ' HA ' ' A' ' 7' ' ' PRO . 14.5 t0 -75.13 97.82 3.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.86 173.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -72.56 -28.91 63.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.579 -175.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.88 87.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.451 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 116' ' ' VAL . 76.8 t80 -67.46 -51.7 48.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.103 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.699 ' HA ' HD23 ' A' ' 97' ' ' LEU . 13.1 m -54.37 -44.17 72.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.603 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 51.0 t-20 -67.16 -47.87 69.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.251 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.1 -44.59 83.35 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.438 -176.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.455 HG21 HD21 ' A' ' 97' ' ' LEU . 94.6 t -60.36 -36.22 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.37 . . . . 0.0 111.013 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.441 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 25.2 mmt -73.28 -23.53 60.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.643 -177.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 25.8 mm-40 -87.76 -34.58 18.28 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 18.7 mt -59.15 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.016 176.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.16 -34.67 72.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.189 -177.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 117' ' ' MET . 95.9 mttt -71.42 -37.51 71.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.144 177.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 50.3 ttp -70.21 -37.77 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.012 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 84.3 mt -72.89 0.91 9.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.274 0.559 . . . . 0.0 110.694 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.6 m -135.52 16.81 3.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.861 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -87.99 75.32 8.79 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.575 0.703 . . . . 0.0 111.599 -174.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -154.53 108.39 2.94 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.939 173.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 69.8 m -62.04 99.87 0.14 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.253 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.79 32.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.649 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -69.79 99.68 1.4 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.536 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -82.57 105.74 13.86 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.05 0.452 . . . . 0.0 110.678 -177.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 29.5 m -91.8 -16.55 7.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.603 175.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 43.0 m -150.91 116.14 5.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.874 177.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 90.6 m . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.812 179.408 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.228 -0.349 . . . . 0.0 112.228 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.9 p -125.78 -175.95 3.48 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.607 0.242 . . . . 0.0 110.539 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.8 -156.17 15.77 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.439 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -155.87 145.15 20.78 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.4 p -65.31 138.36 58.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.079 0.466 . . . . 0.0 111.37 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -128.32 124.62 22.99 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.188 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.29 123.4 13.72 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.32 2.013 . . . . 0.0 110.46 173.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.48 ' CG2' HG21 ' B' ' 105' ' ' THR . 12.6 pt -68.47 -6.84 6.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -171.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -73.17 81.86 1.3 Allowed 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 122.152 0.977 . . . . 0.0 110.715 176.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 85.6 m -152.4 -38.52 0.11 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 113.988 -1.46 . . . . 0.0 107.719 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -99.06 117.75 63.75 Favored Pre-proline 0 N--CA 1.452 -0.335 0 CA-C-N 114.854 -1.067 . . . . 0.0 108.697 170.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -59.96 -51.57 5.57 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.805 2.337 . . . . 0.0 112.46 -172.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -67.11 -36.18 81.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.316 -176.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.76 -33.6 68.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.016 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.81 -34.61 60.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.538 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 43.5 ttm -60.79 -28.18 68.56 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.803 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m -58.77 -40.67 84.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.787 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.437 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 10.3 ttt -64.14 -43.84 93.97 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 178.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -60.96 -44.1 97.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.379 0.609 . . . . 0.0 110.471 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -65.02 -46.05 82.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.366 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -67.86 -29.21 68.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.267 -176.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.681 HD21 HD12 ' B' ' 97' ' ' LEU . 40.9 mt -63.4 -47.02 83.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.814 176.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 67.4 t -61.42 -39.91 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.337 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.595 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 24.9 mt-30 -58.01 -48.9 78.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.328 175.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 0.471 ' HA ' ' NE ' ' B' ' 28' ' ' ARG . 6.4 t -59.36 -49.63 77.09 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.543 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.03 -38.15 85.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.429 -177.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 43.5 t -67.05 -20.76 65.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.36 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' B' ' 24' ' ' GLN . 49.4 mtm180 -82.16 -53.55 5.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.282 0.563 . . . . 0.0 109.949 176.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.578 ' HB2' HG23 ' B' ' 31' ' ' VAL . 51.3 p -57.21 -48.12 79.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.121 -171.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.73 20.51 79.79 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.045 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' B' ' 29' ' ' SER . 23.5 t -80.67 -27.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.438 0.637 . . . . 0.0 109.51 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.413 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.6 mp -93.06 152.72 19.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.702 -175.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 40.5 p -83.16 174.37 10.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.65 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.3 94.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.91 0.386 . . . . 0.0 110.485 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -57.17 -44.21 83.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.444 177.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.448 ' HA ' HH22 ' A' ' 64' ' ' ARG . 53.3 mt-30 -70.7 -43.59 68.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.057 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 81.3 mmm -63.33 -46.18 87.84 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.377 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -66.44 -28.78 68.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.104 0.478 . . . . 0.0 110.237 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.402 ' OD1' ' HB2' ' A' ' 65' ' ' ALA . 5.5 t70 -68.79 -44.02 74.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.185 176.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' B' ' 43' ' ' MET . 91.6 mtp -66.45 -38.71 87.96 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.948 177.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.1 -41.98 99.63 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.535 175.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.489 ' SD ' ' HG3' ' A' ' 62' ' ' ARG . 52.5 ttp -63.75 -36.46 83.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.941 0.401 . . . . 0.0 110.227 176.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' MET . . . . . 0.412 ' HB3' ' O ' ' B' ' 40' ' ' MET . 41.1 ttp -58.56 -49.09 78.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.001 176.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.15 93.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.034 0.445 . . . . 0.0 110.642 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.13 -37.89 89.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.444 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -59.23 -46.7 87.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.419 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 39.5 t -62.85 -42.93 98.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.119 0.485 . . . . 0.0 110.094 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -58.92 -43.26 91.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.426 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.487 ' HA ' ' HG2' ' B' ' 52' ' ' GLN . 35.5 m -62.46 -28.72 70.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.443 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -76.12 -23.67 54.9 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.29 -179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 40.2 mtp -82.62 -16.48 48.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.533 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.487 ' HG2' ' HA ' ' B' ' 49' ' ' SER . 11.0 pt20 -93.68 -12.09 30.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.581 . . . . 0.0 109.765 173.13 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 45.8 mmtt -78.9 -51.73 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.805 170.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' MET . . . . . 0.492 ' HB3' ' HB3' ' B' ' 58' ' ' PRO . 43.9 mtm -91.85 110.37 21.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.448 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.12 -95.8 1.16 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.977 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.21 110.38 2.86 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.865 2.377 . . . . 0.0 112.925 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 59.03 88.79 0.12 Allowed Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.739 175.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.492 ' HB3' ' HB3' ' B' ' 54' ' ' MET . 67.2 Cg_endo -76.83 155.37 34.57 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.311 2.008 . . . . 0.0 113.464 -178.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.458 ' HG2' ' HB2' ' B' ' 62' ' ' ARG . 41.2 Cg_endo -69.62 129.86 18.48 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 123.476 2.784 . . . . 0.0 112.103 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.42 -41.51 98.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.639 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.557 ' O ' ' HB3' ' B' ' 64' ' ' ARG . 22.3 p80 -63.78 -23.12 67.24 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.963 0.411 . . . . 0.0 110.94 -178.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.458 ' HB2' ' HG2' ' B' ' 59' ' ' PRO . 9.2 ttt180 -74.98 -33.31 61.86 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -177.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.27 -30.8 67.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.625 172.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.557 ' HB3' ' O ' ' B' ' 61' ' ' HIS . 1.5 tmm_? -59.01 -45.67 90.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.423 175.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.794 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -68.28 -34.62 76.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.286 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 96.2 mmm -68.52 -30.16 68.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.755 177.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.484 ' HB3' ' O ' ' B' ' 64' ' ' ARG . 13.6 t-20 -56.63 -54.06 50.47 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.45 174.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.452 HG21 ' HB2' ' A' ' 76' ' ' GLU . 4.6 m -63.83 -37.19 86.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.734 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.68 -54.72 38.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.989 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.8 ttt -57.96 -48.26 80.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.277 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' ALA . . . . . 0.44 ' HB2' ' CE2' ' B' ' 112' ' ' PHE . . . -62.23 -42.65 99.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.223 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.538 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -67.37 -40.77 85.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.554 ' O ' HG23 ' B' ' 77' ' ' VAL . 42.0 mt-10 -61.92 -51.16 69.28 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.791 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 38.7 t -54.96 -48.47 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 111.015 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.88 98.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.037 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.467 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -69.91 -30.26 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.181 179.506 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.554 HG23 ' O ' ' B' ' 73' ' ' GLU . 64.5 t -63.77 -43.22 97.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.074 0.464 . . . . 0.0 110.131 173.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.54 -46.88 68.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.922 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.01 81.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.706 -177.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 11.1 m -83.83 77.53 9.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.277 0.56 . . . . 0.0 110.357 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.0 p -157.84 167.88 13.59 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.117 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.94 142.33 92.6 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.0 1.8 . . . . 0.0 110.776 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -62.75 -20.33 70.8 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.401 2.068 . . . . 0.0 111.995 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -80.42 -15.42 56.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.806 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 21.0 m -112.52 -19.4 12.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.682 -177.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -49.04 -51.31 31.88 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.341 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 32.9 t -61.1 -43.26 99.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.734 0.302 . . . . 0.0 111.002 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.65 84.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.057 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.44 -44.59 98.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.051 0.453 . . . . 0.0 110.079 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.34 -50.74 72.55 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.494 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -59.69 -34.69 73.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.146 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 91.7 m -67.09 -51.39 54.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.486 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.482 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.6 mm -66.02 -46.36 88.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.228 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.6 -40.17 92.1 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.647 -178.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' B' ' 99' ' ' GLU . . . -70.62 -48.88 52.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.805 0.336 . . . . 0.0 110.784 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 61.4 m -71.0 -18.49 62.59 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.681 HD12 HD21 ' B' ' 22' ' ' LEU . 1.1 tp -57.2 -51.53 68.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.547 0.689 . . . . 0.0 109.59 172.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.512 ' HG3' HG21 ' B' ' 108' ' ' VAL . 48.2 ttt180 -59.32 -48.68 80.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.535 177.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' B' ' 95' ' ' ALA . 11.5 mm-40 -59.96 -45.93 91.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.204 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 75.0 m -55.63 -43.96 76.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.106 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.586 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 14.7 mmt -63.24 -40.66 98.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.515 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' MET . . . . . 0.46 ' O ' ' HA2' ' B' ' 106' ' ' GLY . 8.9 ttm -70.75 -22.79 62.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.892 0.377 . . . . 0.0 111.273 -177.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -90.11 -34.58 15.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.81 0.338 . . . . 0.0 110.84 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.75 -59.67 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.384 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.48 HG21 ' CG2' ' B' ' 8' ' ' ILE . 74.1 p -103.86 -31.1 9.95 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.039 -177.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' B' ' 102' ' ' MET . . . 103.45 -2.04 46.35 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -175.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 6.3 m -136.24 132.22 35.54 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -178.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.586 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 3.1 p -86.8 110.37 20.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.36 0.6 . . . . 0.0 111.218 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -77.14 125.05 28.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.877 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -89.2 -16.75 30.58 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.306 -177.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.2 -55.09 15.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.653 -0.248 . . . . 0.0 110.649 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.44 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 59.4 t80 -63.47 -46.18 87.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.917 0.389 . . . . 0.0 110.202 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.573 ' HA ' HD23 ' B' ' 97' ' ' LEU . 90.1 m -58.07 -44.08 87.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.089 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 114' ' ' ASN . . . . . 0.415 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 11.0 t30 -69.59 -37.97 77.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.94 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -60.02 -42.82 95.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.345 -178.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.489 ' HA ' HD12 ' B' ' 119' ' ' LEU . 77.6 t -60.29 -38.55 77.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.639 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 31.3 mmt -66.41 -38.4 87.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.445 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 45.0 mt-30 -65.66 -45.31 83.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.048 0.451 . . . . 0.0 110.241 177.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' B' ' 116' ' ' VAL . 18.5 mt -58.25 -48.9 78.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.36 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 11.9 p -70.63 -29.62 38.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.621 -174.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -76.74 -39.76 50.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.716 0.293 . . . . 0.0 110.694 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -63.91 -43.46 95.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 80.7 mt -69.45 -10.65 58.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.457 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 26.6 t -107.47 6.25 27.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.078 0.466 . . . . 0.0 110.324 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -96.42 24.89 5.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.169 0.509 . . . . 0.0 111.417 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -73.69 122.38 22.25 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.004 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 22.0 m -74.01 111.68 9.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.453 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.9 38.93 1.0 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.245 0.545 . . . . 0.0 109.534 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -61.07 87.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.87 -177.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -103.97 34.01 3.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.541 0.686 . . . . 0.0 109.7 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 27.7 m -80.58 -20.04 11.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.423 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 14.7 m -102.27 92.9 4.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.74 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.935 -179.299 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -105.75 103.91 13.52 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.697 0.284 . . . . 0.0 110.818 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.11 -147.96 40.32 Favored Glycine 0 CA--C 1.518 0.261 0 CA-C-N 116.101 -0.499 . . . . 0.0 113.321 177.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -64.53 129.62 40.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.3 0.572 . . . . 0.0 111.528 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 m -94.13 141.07 28.96 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.541 176.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -107.23 112.11 63.02 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.987 -174.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -61.41 119.32 6.41 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.533 2.156 . . . . 0.0 111.106 175.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.49 HG21 HG21 ' A' ' 105' ' ' THR . 14.6 pt -76.93 7.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.014 -174.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -79.59 67.55 5.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.403 0.62 . . . . 0.0 112.21 -173.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.9 t -126.6 -13.83 5.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.377 170.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -126.21 125.04 24.63 Favored Pre-proline 0 CA--C 1.518 -0.251 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.833 177.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -67.74 -38.94 12.6 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.896 2.398 . . . . 0.0 113.045 -173.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -76.78 -35.34 57.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.788 0.327 . . . . 0.0 110.784 -177.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.05 94.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.05 0.452 . . . . 0.0 110.482 177.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.05 -38.71 75.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.923 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.405 ' HE3' ' HB2' ' A' ' 16' ' ' MET . 52.0 ttm -60.98 -29.17 69.51 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.796 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.9 m -66.99 -35.69 80.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.962 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -65.09 -40.89 95.24 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 176.858 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.45 -41.33 96.61 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.65 177.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -62.55 -48.32 80.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -62.65 -32.0 72.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.558 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 18' ' ' MET . 49.4 mt -60.81 -47.13 87.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 111.256 177.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.5 -34.03 67.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.153 0.502 . . . . 0.0 110.31 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -70.31 -41.3 73.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.299 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.605 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 13.8 p -72.66 -34.84 67.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.958 0.409 . . . . 0.0 110.081 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.58 -37.25 86.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.079 0.466 . . . . 0.0 110.659 174.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.7 t -74.74 -23.14 58.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.328 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' A' ' 25' ' ' CYS . 9.8 ptt180 -87.22 -22.95 24.93 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.495 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.8 p -85.56 -59.3 2.35 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.902 0.382 . . . . 0.0 110.456 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.38 17.18 69.5 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.074 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.403 HG11 ' OG1' ' A' ' 92' ' ' THR . 12.4 p -79.59 -22.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.284 0.564 . . . . 0.0 110.138 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.494 ' HG ' HG13 ' A' ' 89' ' ' VAL . 5.1 mp -89.57 156.89 18.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.033 178.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.7 p -80.27 167.14 20.65 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.78 -31.67 72.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.975 0.417 . . . . 0.0 110.004 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.89 -43.51 86.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.713 175.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -74.69 -34.38 62.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.037 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 86.2 mmm -64.77 -42.68 94.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.063 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.4 -31.49 68.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.985 0.422 . . . . 0.0 109.942 177.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.493 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -58.16 -50.81 72.21 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.019 175.031 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.596 ' HG3' HG11 ' A' ' 77' ' ' VAL . 90.5 mtp -68.65 -35.09 76.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.126 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.21 -43.31 99.55 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.713 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.0 tmm? -65.95 -33.32 75.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.668 0.27 . . . . 0.0 110.749 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.449 ' O ' HG23 ' A' ' 47' ' ' VAL . 40.6 ttp -57.47 -49.32 76.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.918 0.389 . . . . 0.0 110.572 176.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.4 -36.52 84.2 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.266 0.555 . . . . 0.0 110.427 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.92 -40.65 98.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.683 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -60.97 -47.35 86.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.374 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 43' ' ' MET . 21.6 t -55.42 -42.77 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-O 120.88 0.372 . . . . 0.0 110.43 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -67.94 -48.13 66.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.289 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.573 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 36.0 p -69.82 -23.71 63.35 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -175.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -76.62 -39.48 52.33 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 174.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.6 mmm -61.53 -43.44 98.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.126 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.573 ' HG2' ' HA ' ' A' ' 49' ' ' SER . 20.5 pt20 -71.84 -15.47 62.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.852 0.358 . . . . 0.0 111.379 -178.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -89.11 -8.92 52.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.882 0.372 . . . . 0.0 110.74 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.856 ' SD ' ' HD2' ' A' ' 62' ' ' ARG . 78.1 mtm -106.97 -48.76 3.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.893 0.378 . . . . 0.0 110.918 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.98 -165.61 20.95 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.661 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -67.07 139.14 49.88 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.405 2.07 . . . . 0.0 112.028 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 58.15 76.02 0.5 Allowed Pre-proline 0 N--CA 1.466 0.341 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.96 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -81.99 167.66 16.03 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.517 2.144 . . . . 0.0 112.641 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.5 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 23.8 Cg_exo -61.46 122.53 11.22 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 123.11 2.54 . . . . 0.0 111.791 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -62.53 -33.78 75.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.088 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -34.21 73.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.304 0.573 . . . . 0.0 110.376 178.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.856 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 41.7 ttm-85 -73.85 -32.55 63.71 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.621 -178.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.69 -32.14 72.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.929 176.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.1 mtm105 -58.14 -48.57 79.83 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 173.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.538 ' HA ' ' HG3' ' B' ' 76' ' ' GLU . . . -62.4 -37.05 84.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.217 178.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 96.1 mmm -59.24 -33.94 71.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -53.52 -55.57 24.34 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 173.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.527 HG22 ' HB1' ' B' ' 72' ' ' ALA . 19.7 m -65.83 -42.08 90.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.121 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -58.02 -56.39 22.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.482 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.4 ttt -60.03 -45.14 93.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.289 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.19 99.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.546 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -63.76 -41.4 97.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.955 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.577 ' O ' HG23 ' A' ' 77' ' ' VAL . 12.3 mm-40 -58.22 -52.15 66.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.027 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 78' ' ' VAL . 53.9 t -55.94 -47.32 80.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.64 96.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -61.63 -42.99 99.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.045 178.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.596 HG11 ' HG3' ' A' ' 40' ' ' MET . 91.9 t -61.44 -44.24 98.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.12 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 74' ' ' VAL . 78.2 t -68.68 -40.37 81.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.146 -178.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.89 -21.42 66.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.745 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.3 m -89.94 77.33 6.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.352 0.596 . . . . 0.0 110.434 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 p -158.57 161.45 28.42 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.593 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.54 ' HD2' ' HB3' ' A' ' 85' ' ' SER . 26.1 Cg_exo -63.91 155.84 61.74 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.201 1.934 . . . . 0.0 110.904 175.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -57.67 -36.1 98.6 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.352 2.035 . . . . 0.0 112.122 -174.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -76.6 -21.24 55.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.684 -178.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.54 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 18.0 t -101.63 -21.62 14.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.826 0.346 . . . . 0.0 110.76 -175.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -51.43 -52.14 48.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.05 -177.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.0 t -71.52 -24.89 62.04 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.087 -177.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.2 -47.01 53.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.116 0.484 . . . . 0.0 110.068 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.494 HG13 ' HG ' ' A' ' 32' ' ' LEU . 73.0 t -62.73 -44.92 99.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.097 175.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.4 -50.15 75.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.84 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -57.49 -34.7 69.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.945 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.403 ' OG1' HG11 ' A' ' 31' ' ' VAL . 39.9 m -71.06 -53.42 14.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.435 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.5 ' HA ' HD13 ' A' ' 93' ' ' ILE . 1.6 mm -59.83 -43.5 92.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.063 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.12 -35.02 63.21 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.57 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.21 -36.24 47.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.923 0.392 . . . . 0.0 110.643 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.544 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 86.3 m -63.1 -40.32 97.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.293 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.962 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 9.5 mp -59.71 -33.4 71.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.13 0.49 . . . . 0.0 110.798 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.486 ' HG3' HG21 ' A' ' 108' ' ' VAL . 64.0 ttt180 -66.92 -49.53 65.24 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.687 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.544 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 11.0 pt-20 -74.52 -37.21 63.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.838 -175.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 66.4 m -59.83 -41.21 90.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.71 0.29 . . . . 0.0 110.767 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 14.8 mmt -66.4 -41.53 89.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.728 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.7 ttm -68.05 -28.79 67.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.245 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -83.0 -34.97 26.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.941 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.27 -50.4 16.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.658 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.49 HG21 HG21 ' A' ' 8' ' ' ILE . 75.2 p -108.78 -47.12 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.21 0.529 . . . . 0.0 111.079 -177.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 130.68 -8.97 5.82 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.569 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.1 m -138.25 148.14 44.42 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.486 HG21 ' HG3' ' A' ' 98' ' ' ARG . 2.4 p -88.68 111.16 22.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.345 0.593 . . . . 0.0 111.158 179.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -74.51 125.98 29.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.114 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -86.22 -20.41 28.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.421 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.01 -53.32 55.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.653 0.263 . . . . 0.0 110.852 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -68.42 -45.54 72.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.042 0.449 . . . . 0.0 110.329 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.709 ' HA ' HD23 ' A' ' 97' ' ' LEU . 19.5 m -58.92 -41.65 87.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.707 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 10.2 t30 -71.94 -39.57 69.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.662 0.267 . . . . 0.0 110.499 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -55.54 -44.86 77.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.749 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.551 HG21 HD21 ' A' ' 97' ' ' LEU . 66.1 t -65.63 -35.61 75.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.958 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 30.5 mmt -65.85 -36.86 84.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.908 0.385 . . . . 0.0 110.247 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 114' ' ' ASN . 43.7 mt-30 -69.5 -46.78 65.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.968 176.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 116' ' ' VAL . 13.7 mt -54.81 -51.36 66.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.882 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.3 p -68.29 -31.08 50.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.608 -173.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -76.67 -37.59 55.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.001 0.429 . . . . 0.0 110.349 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 41.9 ttp -63.91 -45.36 89.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.688 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.39 -18.29 61.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.25 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.3 t -94.54 4.59 53.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.06 0.457 . . . . 0.0 110.406 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -96.96 75.03 2.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.3 0.571 . . . . 0.0 111.057 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -64.76 107.87 1.57 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.486 175.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.4 p -130.19 130.64 44.95 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.751 -176.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -160.85 76.04 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.023 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -74.29 161.31 30.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.36 173.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -69.04 112.04 5.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.609 0.718 . . . . 0.0 111.485 -175.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 29.2 m -97.58 5.47 9.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.579 172.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.4 p -76.35 159.82 30.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.02 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.713 -178.602 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 N-CA-C 112.072 -0.411 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.8 m -147.7 142.22 26.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.722 0.296 . . . . 0.0 110.658 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.31 -120.14 6.7 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.131 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -78.53 159.49 28.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.792 0.329 . . . . 0.0 110.921 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -98.31 137.32 37.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.982 0.42 . . . . 0.0 110.763 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.41 ' HA ' ' HD2' ' B' ' 7' ' ' PRO . 11.5 pt20 -143.59 99.48 5.25 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-O 121.261 0.553 . . . . 0.0 110.369 178.172 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' B' ' 6' ' ' GLN . 13.5 Cg_endo -57.64 128.43 29.21 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 123.016 2.477 . . . . 0.0 111.908 -178.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.473 HG21 HG21 ' B' ' 105' ' ' THR . 19.4 pt -72.3 6.8 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.801 -176.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -77.59 7.64 5.34 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -173.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.7 t -81.49 -12.72 58.76 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 171.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -121.94 104.94 38.16 Favored Pre-proline 0 C--O 1.234 0.272 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.717 173.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -62.31 -35.43 73.48 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.831 2.354 . . . . 0.0 112.257 -175.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -69.81 -41.51 74.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.496 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.3 -44.79 82.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.503 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.16 99.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.127 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -62.67 -30.99 71.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.786 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.6 m -67.48 -34.57 77.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.112 0.482 . . . . 0.0 109.877 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' MET . . . . . 1.011 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.61 -44.4 94.06 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.182 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -59.56 -44.26 93.32 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.187 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -63.69 -47.74 79.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.267 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -65.74 -27.79 68.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.645 -176.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.431 HD12 ' HE3' ' B' ' 70' ' ' MET . 19.4 mt -61.25 -47.18 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.626 175.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.56 -41.32 91.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.4 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.61 -44.34 94.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 177.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 0.514 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 42.7 t -64.42 -36.23 83.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.115 0.483 . . . . 0.0 110.561 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.483 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -71.22 -37.61 72.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.003 0.43 . . . . 0.0 111.062 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 45.1 t -72.03 -31.29 66.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.514 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 26.3 ptt180 -80.73 -19.62 44.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.611 0.243 . . . . 0.0 110.997 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.3 p -89.93 -49.27 6.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.015 0.436 . . . . 0.0 110.414 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.08 24.27 74.11 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.045 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.7 p -90.57 -9.85 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.165 0.507 . . . . 0.0 110.385 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.5 mp -102.13 151.23 22.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.397 178.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 62.1 p -86.31 -179.5 6.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.908 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.14 94.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.766 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -57.98 -49.96 75.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.448 0.642 . . . . 0.0 109.558 178.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.566 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 43.0 mt-30 -67.26 -46.75 72.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.325 -177.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 90.1 mmm -63.57 -45.0 92.45 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 111.55 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -65.84 -35.27 80.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -72.0 -38.77 69.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.998 0.428 . . . . 0.0 110.542 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.523 ' HG3' HG11 ' B' ' 77' ' ' VAL . 85.9 mtp -65.47 -33.04 74.99 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.147 174.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.04 -41.79 96.65 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.553 172.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.579 ' SD ' ' HD3' ' A' ' 62' ' ' ARG . 52.7 ttp -65.07 -34.27 78.02 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 120.595 0.236 . . . . 0.0 110.735 176.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' MET . . . . . 0.523 ' SD ' ' HG3' ' B' ' 70' ' ' MET . 47.6 ttp -54.47 -51.04 66.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.975 0.417 . . . . 0.0 110.338 176.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.51 99.48 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.96 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.75 -41.65 97.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.183 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 30.0 t -56.77 -51.53 68.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.622 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 43' ' ' MET . 10.6 t -60.3 -41.56 87.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.618 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -67.85 -50.73 54.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.694 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.496 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 63.4 p -68.93 -24.99 64.35 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -171.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -86.75 -32.62 20.31 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.549 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 58.7 mmm -69.05 -39.16 79.32 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.152 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -66.54 -26.25 67.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.093 0.473 . . . . 0.0 110.542 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' B' ' 49' ' ' SER . 32.9 mtmm -85.24 -12.99 51.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.587 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.6 mtm -105.07 -40.7 5.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.334 . . . . 0.0 111.199 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.85 -157.78 28.84 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.723 176.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.36 141.67 47.52 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.788 2.325 . . . . 0.0 112.475 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 49.93 75.78 0.62 Allowed Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.428 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -83.11 172.34 10.83 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 122.484 2.123 . . . . 0.0 111.879 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.613 ' HG2' ' CZ ' ' B' ' 62' ' ' ARG . 23.1 Cg_exo -63.14 119.1 6.04 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.607 2.205 . . . . 0.0 111.161 175.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -57.92 -28.34 64.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.197 -176.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.664 ' HA ' ' HG3' ' B' ' 64' ' ' ARG . 11.4 p80 -71.47 -32.23 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.405 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.661 ' O ' ' HG2' ' B' ' 66' ' ' MET . 41.5 mtm-85 -73.81 -21.06 60.27 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.163 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.16 -32.53 63.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.761 171.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.664 ' HG3' ' HA ' ' B' ' 61' ' ' HIS . 29.4 mtm105 -53.17 -53.72 46.48 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.271 0.558 . . . . 0.0 109.577 173.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.93 94.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.725 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.661 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 92.6 mmm -58.38 -32.42 68.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.377 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -54.13 -55.17 30.31 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.143 0.497 . . . . 0.0 110.393 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.546 HG22 ' HB1' ' A' ' 72' ' ' ALA . 26.6 m -74.09 -32.91 63.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.181 -177.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.28 -53.8 54.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.98 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' MET . . . . . 0.523 ' HG3' ' SD ' ' B' ' 43' ' ' MET . 20.2 ttt -60.34 -45.37 93.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.834 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.6 99.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.288 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.527 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -64.75 -38.77 92.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.23 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.47 -39.03 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.407 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.454 ' O ' HG23 ' B' ' 78' ' ' VAL . 71.5 t -66.38 -41.66 89.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.056 0.455 . . . . 0.0 110.516 176.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.31 -38.28 90.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.502 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.538 ' HG3' ' HA ' ' A' ' 65' ' ' ALA . 3.5 tm-20 -55.13 -53.7 52.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.211 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.523 HG11 ' HG3' ' B' ' 40' ' ' MET . 33.7 m -68.75 -34.8 66.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.174 -174.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 74' ' ' VAL . 96.4 t -70.56 -37.79 71.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.987 0.422 . . . . 0.0 110.425 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' B' ' 86' ' ' TYR . . . -72.98 -35.96 67.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.807 -177.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 27.5 m -85.85 78.81 9.44 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.604 0.716 . . . . 0.0 110.244 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 52.1 p -149.76 162.96 26.63 Favored Pre-proline 0 C--N 1.317 -0.847 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.868 176.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -64.23 139.78 67.8 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.731 1.621 . . . . 0.0 110.403 175.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -45.4 -38.09 15.21 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.371 2.714 . . . . 0.0 112.947 -176.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -66.4 -50.1 64.61 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.54 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.411 ' O ' HG23 ' B' ' 89' ' ' VAL . 47.8 m -83.4 -9.86 58.77 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.112 -172.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' TYR . . . . . 0.431 ' OH ' HG22 ' B' ' 120' ' ' VAL . 18.8 t80 -51.7 -53.65 36.91 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 111.261 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -60.07 -40.27 88.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.928 -177.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.4 92.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.78 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 85' ' ' SER . 65.8 t -64.79 -46.46 91.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.493 178.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 tt -58.5 -50.44 73.76 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.686 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -60.55 -38.86 85.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.06 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 93.9 m -64.41 -56.25 15.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.722 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.469 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -59.32 -42.01 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.192 -179.001 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.92 -41.48 76.76 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.999 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.43 65.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.751 0.31 . . . . 0.0 110.64 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 88.6 m -58.68 -34.79 71.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.785 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 1.011 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 7.6 mp -66.11 -43.82 86.12 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.647 0.26 . . . . 0.0 111.11 178.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.513 ' HG3' HG21 ' B' ' 108' ' ' VAL . 20.8 ttt180 -60.6 -40.68 92.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.115 0.483 . . . . 0.0 110.08 176.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.96 -55.56 24.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.314 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 42.3 m -56.99 -42.26 79.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.016 -174.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.563 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 15.7 mmt -63.05 -38.03 89.55 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.011 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 3.2 ttm -68.54 -35.1 76.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.944 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -81.75 -35.13 30.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.985 0.421 . . . . 0.0 110.791 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.0 -54.75 8.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.695 -176.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.473 HG21 HG21 ' B' ' 8' ' ' ILE . 81.8 p -107.51 -49.66 3.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.136 0.493 . . . . 0.0 110.682 -177.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 131.53 -20.74 4.61 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -175.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m -120.77 139.5 53.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.563 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 2.9 p -90.5 108.06 19.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.399 0.619 . . . . 0.0 111.204 -177.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -71.75 130.31 40.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.38 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -92.19 -17.4 24.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.362 -177.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.72 -53.0 54.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.652 0.263 . . . . 0.0 110.774 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -68.18 -45.94 72.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.427 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.704 ' HA ' HD23 ' B' ' 97' ' ' LEU . 22.8 m -56.73 -41.01 76.74 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.728 178.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 114' ' ' ASN . . . . . 0.416 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 55.7 t30 -71.85 -41.15 68.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 0.0 110.494 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -53.33 -44.98 68.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.141 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.542 HG21 HD21 ' B' ' 97' ' ' LEU . 94.0 t -66.1 -36.74 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 29.0 mmt -65.06 -39.96 94.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.07 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 44.1 mt-30 -68.45 -43.38 77.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.224 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' B' ' 116' ' ' VAL . 17.4 mt -56.62 -51.23 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.616 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 120' ' ' VAL . . . . . 0.431 HG22 ' OH ' ' B' ' 86' ' ' TYR . 11.4 p -67.85 -35.95 74.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.47 -174.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -67.44 -40.73 85.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.089 0.471 . . . . 0.0 110.402 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.411 ' HE1' ' CD2' ' A' ' 119' ' ' LEU . 38.7 ttp -65.86 -43.78 87.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.986 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 90.6 mt -74.9 -11.41 60.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 110.83 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 29.6 t -89.9 0.45 57.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.358 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -137.22 91.19 2.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.017 0.437 . . . . 0.0 111.404 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -84.27 138.65 32.82 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 5.8 p -68.28 96.91 0.69 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.355 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.45 5.95 47.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.34 0.591 . . . . 0.0 109.976 176.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -66.66 110.27 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.033 174.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -73.06 111.81 8.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.222 0.534 . . . . 0.0 111.348 -172.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 35.7 m -85.91 -11.98 11.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.047 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 12.3 p -96.95 105.87 18.1 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.858 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--O 1.246 0.913 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.556 -178.0 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 111.951 -0.459 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 m -84.96 71.52 10.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.184 0.516 . . . . 0.0 110.341 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.09 -172.85 13.25 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.88 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -99.44 -49.09 4.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.936 0.398 . . . . 0.0 110.338 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 p -129.44 120.45 25.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.78 -175.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.415 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 15.0 pt20 -154.27 128.78 4.75 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.045 174.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 12.0 Cg_exo -71.01 178.61 5.15 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.882 2.388 . . . . 0.0 112.269 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.525 HG21 HG21 ' A' ' 105' ' ' THR . 5.7 pt -77.36 -10.22 12.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -73.54 85.88 1.57 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.818 0.818 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -164.37 -28.29 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.008 -1.451 . . . . 0.0 107.987 177.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -109.9 112.82 57.8 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.007 171.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -65.03 -40.63 19.64 Favored 'Trans proline' 0 C--N 1.331 -0.349 0 C-N-CA 122.862 2.375 . . . . 0.0 113.001 -170.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -65.66 -34.98 79.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.739 0.304 . . . . 0.0 110.705 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.43 -44.41 75.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.554 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.35 91.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.665 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 43.2 ttm -63.1 -28.76 70.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.9 m -64.01 -37.78 88.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.852 176.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.406 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 0.4 OUTLIER -65.83 -39.49 90.88 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.459 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.46 -41.65 97.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.801 177.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -71.45 -42.01 68.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.162 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -61.49 -33.08 73.18 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.209 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.715 HD21 HD12 ' A' ' 97' ' ' LEU . 46.8 mt -60.81 -40.8 94.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.732 176.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.34 -35.93 72.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.302 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -59.5 -52.0 67.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.467 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.55 -38.89 65.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.059 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.28 -42.28 90.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.425 . . . . 0.0 111.364 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.5 t -68.44 -21.59 64.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.527 -176.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 28' ' ' ARG . 10.2 ptp180 -106.01 -4.79 20.11 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.922 -178.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.7 p -85.23 -45.86 11.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.125 0.488 . . . . 0.0 109.78 176.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.4 90.12 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.58 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.5 p -76.24 -19.16 15.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.023 0.439 . . . . 0.0 110.39 -179.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mp -98.16 160.14 14.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.011 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.9 p -92.8 176.78 6.31 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.551 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.19 -40.87 96.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.12 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' CG ' HH21 ' B' ' 64' ' ' ARG . 11.2 t70 -61.76 -41.78 98.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.209 0.528 . . . . 0.0 110.089 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.613 ' HB3' HG13 ' A' ' 77' ' ' VAL . 54.0 mt-30 -66.62 -48.4 69.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.635 177.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 76.7 mmm -62.35 -42.54 99.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.591 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -66.19 -35.87 81.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 42' ' ' MET . 9.6 t70 -72.06 -33.94 68.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.232 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mtp -65.84 -36.49 83.61 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.064 0.459 . . . . 0.0 109.88 173.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.03 -37.16 94.49 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 173.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.408 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 18.6 tmm? -62.07 -42.65 99.42 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 175.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.428 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 37.9 ttp -55.55 -45.43 77.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.261 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.98 89.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.325 177.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -68.03 -42.18 81.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.735 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.2 p -62.51 -45.88 90.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.598 0.237 . . . . 0.0 110.867 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.3 t -65.05 -42.16 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.245 0.545 . . . . 0.0 110.037 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -60.54 -52.93 63.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.476 -178.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.645 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 35.2 m -60.05 -45.55 92.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.422 -175.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -62.53 -31.97 72.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.233 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.9 mmm -73.49 -26.18 60.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.86 0.362 . . . . 0.0 111.065 176.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -82.93 -25.64 32.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.41 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.645 ' HG2' ' O ' ' A' ' 49' ' ' SER . 1.6 mmmp? -75.05 -19.82 59.84 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.417 ' SD ' ' HD2' ' A' ' 62' ' ' ARG . 65.1 mtm -109.03 -168.66 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.145 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.64 -148.43 5.04 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.643 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.55 136.6 43.36 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.441 2.094 . . . . 0.0 111.762 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.4 t30 63.18 86.17 0.15 Allowed Pre-proline 0 N--CA 1.464 0.255 0 O-C-N 123.603 0.565 . . . . 0.0 111.054 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -86.35 164.65 9.63 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.045 2.496 . . . . 0.0 112.329 178.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.1 139.68 47.33 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.574 2.183 . . . . 0.0 112.19 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -61.87 -25.04 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.485 -178.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.433 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 42.8 m80 -55.5 -58.09 9.19 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.208 0.528 . . . . 0.0 109.956 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.635 ' HG2' ' HG3' ' B' ' 42' ' ' MET . 66.4 mtt180 -64.13 -36.81 85.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.17 -176.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 67.5 mt -60.24 -52.62 64.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.744 0.307 . . . . 0.0 111.001 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 21.5 ptt180 -65.78 -33.23 75.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.6 -177.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.73 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -73.52 -46.27 48.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.659 -178.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.585 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 92.8 mmm -66.08 -24.47 66.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.818 -177.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -53.29 -55.76 22.07 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.529 173.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.0 m -76.8 -34.54 57.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.012 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.537 ' HB3' ' HA ' ' A' ' 66' ' ' MET . . . -58.03 -51.62 68.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.29 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.3 ttt -59.24 -41.39 88.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 110.781 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.17 -43.19 98.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.99 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.91 -33.88 76.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.927 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 45.4 mt-10 -64.84 -27.53 68.94 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.5 t -80.3 -44.41 22.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.096 0.474 . . . . 0.0 110.223 174.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.83 92.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.718 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -60.08 -38.61 83.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.973 0.416 . . . . 0.0 110.707 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.613 HG13 ' HB3' ' A' ' 36' ' ' GLN . 54.7 t -67.4 -43.6 87.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.779 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.58 -42.81 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.088 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.41 -30.64 71.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.532 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.4 m -85.7 76.73 9.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.318 0.58 . . . . 0.0 110.363 178.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 61.4 p -154.01 167.72 13.18 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.637 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.68 145.32 99.07 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.263 1.975 . . . . 0.0 111.053 174.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.23 -17.67 44.98 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.178 1.919 . . . . 0.0 112.329 -172.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -93.9 -1.54 54.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.095 0.474 . . . . 0.0 110.364 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.4 m -122.43 -1.49 9.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.024 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -58.29 -47.07 84.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.363 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.1 t -66.92 -35.24 79.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.987 0.422 . . . . 0.0 110.163 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.52 -49.86 69.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.89 -44.61 96.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.477 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.5 -52.25 66.16 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.706 -178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -59.18 -43.74 92.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.23 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.3 m -58.24 -46.23 86.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.5 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.504 ' HA ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -68.68 -42.74 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 177.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.92 -40.42 95.29 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.057 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -66.63 -46.83 74.53 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 174.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.8 m -54.91 -45.87 74.79 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.448 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.715 HD12 HD21 ' A' ' 22' ' ' LEU . 3.6 mp -49.52 -49.97 43.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.987 0.423 . . . . 0.0 111.349 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.511 ' HG3' HG21 ' A' ' 108' ' ' VAL . 80.4 ttt180 -65.08 -49.23 70.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.909 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 22.2 mm-40 -63.42 -47.41 82.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.026 -179.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.6 m -56.44 -46.4 80.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.36 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.56 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 14.1 mmt -59.56 -50.28 74.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.795 0.331 . . . . 0.0 110.655 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.1 ttm -63.1 -38.23 90.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.56 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -84.48 -9.26 58.53 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -177.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.32 -48.35 5.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.948 0.404 . . . . 0.0 111.414 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.525 HG21 HG21 ' A' ' 8' ' ' ILE . 65.4 p -111.17 -14.65 13.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.047 0.451 . . . . 0.0 111.745 -173.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.25 1.29 66.92 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.854 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.4 m -149.71 159.24 44.5 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.56 ' HA ' ' HB3' ' A' ' 101' ' ' MET . 7.7 p -107.3 116.37 50.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.413 0.625 . . . . 0.0 111.066 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -78.33 134.23 37.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.096 175.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -94.32 -23.35 17.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.726 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.96 61.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.737 -176.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.468 ' O ' HG23 ' A' ' 116' ' ' VAL . 79.3 t80 -68.2 -49.25 62.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.704 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.63 ' HA ' HD23 ' A' ' 97' ' ' LEU . 43.8 m -57.46 -42.41 82.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.475 -177.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -71.56 -39.75 70.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.66 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -59.33 -42.59 91.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 112' ' ' PHE . 58.4 t -59.57 -39.75 80.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.984 0.421 . . . . 0.0 110.752 177.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 27.3 mmt -66.72 -42.19 86.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.245 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -66.98 -44.02 81.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.472 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 24.1 mt -56.41 -50.04 72.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.405 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 12.9 p -70.52 -32.18 48.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.552 -174.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -71.13 -38.06 72.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.922 0.391 . . . . 0.0 110.292 177.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.2 ttp -65.87 -39.98 91.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.899 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.7 mt -71.67 -15.8 62.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 t -95.98 16.75 16.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.368 0.604 . . . . 0.0 109.92 178.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -103.11 34.35 2.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.357 0.598 . . . . 0.0 110.361 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -60.64 136.15 57.98 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.328 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.9 p -82.94 108.24 16.12 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.905 171.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.16 24.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.098 0.475 . . . . 0.0 111.922 -175.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -99.68 125.75 45.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.822 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -72.83 116.43 13.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.392 0.615 . . . . 0.0 110.533 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 30.1 m -87.86 1.87 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.029 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -148.59 -179.2 6.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.344 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 38.2 m . . . . . 0 C--N 1.323 -0.563 0 CA-C-O 120.569 0.223 . . . . 0.0 110.84 178.526 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.502 0 N-CA-C 112.135 -0.386 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.6 p -119.5 153.91 34.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.629 0.252 . . . . 0.0 110.558 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.7 -165.27 25.09 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.609 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -66.42 -41.29 89.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.421 0.629 . . . . 0.0 109.625 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -154.77 143.86 21.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.092 174.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.451 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 0.6 OUTLIER -119.0 125.96 27.37 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-O 120.749 0.309 . . . . 0.0 111.043 -178.163 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' B' ' 6' ' ' GLN . 9.9 Cg_exo -72.26 145.71 44.12 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.816 2.344 . . . . 0.0 111.382 176.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.798 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.5 pp -76.35 -9.24 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.955 0.407 . . . . 0.0 111.502 -176.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -77.37 23.36 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.025 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -86.77 -5.48 59.1 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 172.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -135.56 115.54 11.57 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.635 175.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -68.97 -42.98 3.68 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 123.02 2.48 . . . . 0.0 113.34 -173.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -69.8 -29.53 66.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.287 0.565 . . . . 0.0 110.072 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.07 74.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.182 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.99 83.96 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.755 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' MET . . . . . 0.546 ' HE1' ' HA ' ' B' ' 48' ' ' ASN . 41.7 ttm -60.86 -30.74 70.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.989 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 52.3 m -68.1 -33.19 74.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.015 178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' MET . . . . . 1.102 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.3 OUTLIER -67.43 -41.36 84.94 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.79 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -43.42 98.9 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.426 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -66.26 -45.23 81.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.81 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASN . . . . . 0.535 ' HA ' ' CG ' ' B' ' 24' ' ' GLN . 85.9 m-20 -65.75 -24.92 67.06 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.508 -178.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.476 HD21 ' HA ' ' B' ' 97' ' ' LEU . 32.7 mt -68.01 -45.89 72.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.999 0.428 . . . . 0.0 110.09 172.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 46.3 t -60.07 -49.78 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.423 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.535 ' CG ' ' HA ' ' B' ' 21' ' ' ASN . 3.7 pp0? -62.76 -36.11 81.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.872 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 38.2 t -71.28 -40.17 71.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.25 0.548 . . . . 0.0 110.098 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -65.89 -38.12 87.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.455 0.645 . . . . 0.0 110.768 175.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 34.9 t -66.75 -36.11 81.67 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.408 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 10.8 ptp180 -92.04 0.22 57.47 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -177.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 21.2 p -95.59 -42.62 8.32 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.296 175.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.43 31.63 60.79 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.602 176.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.437 HG13 HD12 ' B' ' 32' ' ' LEU . 14.7 p -103.04 -8.97 9.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.237 0.542 . . . . 0.0 110.393 178.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.5 HD13 ' HB1' ' B' ' 26' ' ' ALA . 5.3 mp -107.03 153.89 21.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.367 178.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 73.5 p -86.01 174.76 8.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.51 178.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.56 -33.15 75.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.738 0.304 . . . . 0.0 110.982 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' B' ' 39' ' ' ASP . 28.5 t0 -62.08 -45.6 92.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.145 0.497 . . . . 0.0 109.743 177.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.453 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 52.2 mt-30 -68.69 -44.91 72.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.702 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 79.6 mmm -62.16 -49.0 77.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.831 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.43 -28.99 66.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 110.608 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' B' ' 35' ' ' ASP . 26.6 t0 -65.26 -43.33 91.63 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.2 mtp -67.3 -35.9 80.42 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.399 175.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.72 -41.53 99.05 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.429 -0.669 . . . . 0.0 111.429 175.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.635 ' HG3' ' HG2' ' A' ' 62' ' ' ARG . 17.9 tmm? -63.17 -39.01 93.43 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 176.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' MET . . . . . 0.543 ' O ' HG23 ' B' ' 47' ' ' VAL . 35.0 ttp -56.55 -47.39 79.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.126 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.45 87.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.179 0.514 . . . . 0.0 110.264 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.31 -43.35 86.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.683 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.4 p -65.03 -42.01 94.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.442 0.163 . . . . 0.0 111.206 -178.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 43' ' ' MET . 40.1 t -61.19 -46.82 95.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 121.264 0.554 . . . . 0.0 110.106 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.546 ' HA ' ' HE1' ' B' ' 16' ' ' MET . 57.0 t30 -68.76 -35.09 76.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.237 -176.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 66.9 m -72.42 -23.87 61.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.392 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -79.23 -15.64 57.71 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.658 174.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 95.7 mmm -79.06 -10.54 59.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.372 0.606 . . . . 0.0 109.686 172.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -88.64 -34.22 17.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 170.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.417 ' HE3' ' HB3' ' B' ' 53' ' ' LYS . 27.2 mmmt -67.99 -40.15 83.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.869 175.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' MET . . . . . 0.724 ' SD ' ' HB3' ' B' ' 58' ' ' PRO . 63.9 mtm -95.44 131.94 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.209 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -93.3 -118.11 2.69 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.693 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.2 108.92 2.58 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 122.747 2.298 . . . . 0.0 112.842 -176.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 65.17 92.08 0.07 OUTLIER Pre-proline 0 N--CA 1.468 0.461 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.194 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.724 ' HB3' ' SD ' ' B' ' 54' ' ' MET . 33.2 Cg_exo -60.07 157.57 33.81 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 123.188 2.592 . . . . 0.0 113.519 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.497 ' HD2' ' SD ' ' B' ' 54' ' ' MET . 19.2 Cg_endo -62.56 125.01 15.22 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 123.316 2.677 . . . . 0.0 111.716 176.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -51.4 -40.88 60.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.378 -178.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.488 ' HA ' ' HG2' ' B' ' 64' ' ' ARG . 2.0 p-80 -66.92 -31.32 71.83 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.734 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.703 ' HD3' ' SD ' ' B' ' 54' ' ' MET . 34.6 ttt180 -74.86 -25.47 59.0 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.151 -0.62 . . . . 0.0 109.475 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.0 mt -71.29 -51.2 25.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.249 175.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.488 ' HG2' ' HA ' ' B' ' 61' ' ' HIS . 10.2 ptt180 -68.88 -22.26 64.2 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.806 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.02 -50.88 37.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.238 0.542 . . . . 0.0 110.345 174.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 94.9 mmm -64.95 -21.58 66.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.289 -178.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -56.13 -46.31 79.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.267 171.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.485 ' HA ' ' OE1' ' B' ' 115' ' ' GLU . 57.6 m -80.1 -37.59 33.38 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.697 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.508 ' HB3' ' HA ' ' B' ' 66' ' ' MET . . . -61.06 -52.06 66.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.483 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.5 ttt -59.72 -43.02 94.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.951 0.405 . . . . 0.0 110.698 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.32 -43.55 97.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.973 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.69 95.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.921 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.51 ' O ' HG23 ' B' ' 77' ' ' VAL . 43.1 mt-10 -62.38 -46.58 87.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.559 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 44.3 t -60.19 -48.61 87.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.743 0.306 . . . . 0.0 110.873 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.19 -40.41 89.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.804 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.73 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 24.4 tt0 -59.15 -49.15 78.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.55 176.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.51 HG23 ' O ' ' B' ' 73' ' ' GLU . 72.6 t -56.61 -39.61 63.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.215 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.3 t -75.35 -46.72 37.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.176 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.21 -38.68 85.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.515 -177.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 5.1 m -83.99 68.02 9.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.395 0.616 . . . . 0.0 110.443 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.0 p -144.91 171.69 6.29 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.859 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.3 137.18 59.35 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.535 1.49 . . . . 0.0 110.422 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.16 -21.01 57.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.753 2.302 . . . . 0.0 111.849 -175.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -65.51 -50.4 65.41 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.557 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.443 ' O ' HG23 ' B' ' 89' ' ' VAL . 45.5 m -91.27 -9.88 43.48 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.263 -175.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -47.11 -59.74 2.94 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.257 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 40.5 m -58.7 -36.02 73.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.726 -175.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.79 -46.56 57.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.14 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 85' ' ' SER . 87.1 t -59.14 -42.66 87.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.204 0.525 . . . . 0.0 109.924 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.68 -51.63 69.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.694 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -60.09 -38.74 83.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.604 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 84.2 m -64.51 -53.7 44.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.77 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.51 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.7 OUTLIER -60.05 -44.93 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.06 179.694 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.97 -43.05 87.89 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.394 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.08 -41.4 74.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.671 0.272 . . . . 0.0 110.746 178.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 94.7 m -62.3 -34.48 76.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.334 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 1.102 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 2.5 mp -58.58 -51.58 69.31 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.701 0.286 . . . . 0.0 111.327 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.518 ' HG3' HG21 ' B' ' 108' ' ' VAL . 39.4 ttp180 -55.92 -45.8 78.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.513 -178.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.57 -47.29 70.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.931 -177.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 58.1 m -55.88 -42.13 75.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.528 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.522 ' SD ' ' HG3' ' B' ' 18' ' ' MET . 13.9 mmt -63.56 -44.03 95.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.906 0.384 . . . . 0.0 110.911 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 23.9 ttm -68.45 -26.18 65.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.117 -177.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -85.75 -34.36 21.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.822 0.344 . . . . 0.0 110.968 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.09 -53.84 8.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.384 -177.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.798 HG21 ' HB ' ' B' ' 8' ' ' ILE . 81.4 p -103.57 -48.62 3.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.241 0.543 . . . . 0.0 110.691 -177.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.98 -0.69 6.68 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.482 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 48.3 m -147.91 149.2 31.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.518 HG21 ' HG3' ' B' ' 98' ' ' ARG . 2.9 p -85.61 111.08 20.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.383 0.611 . . . . 0.0 111.537 -176.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -68.3 111.85 4.84 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.726 175.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.22 -28.45 42.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.42 -175.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.97 87.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.965 0.412 . . . . 0.0 110.716 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.401 ' O ' HG23 ' B' ' 116' ' ' VAL . 81.5 t80 -69.06 -51.97 33.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.416 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.602 ' HA ' HD23 ' B' ' 97' ' ' LEU . 15.2 m -57.96 -32.72 68.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.765 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -70.74 -47.02 61.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.607 0.241 . . . . 0.0 110.842 178.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.485 ' OE1' ' HA ' ' B' ' 68' ' ' THR . 23.2 tt0 -58.58 -44.32 89.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 -176.22 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.523 HG21 HD21 ' B' ' 97' ' ' LEU . 64.8 t -59.47 -39.54 79.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.759 -178.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 28.2 mmt -68.01 -39.34 83.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.961 0.41 . . . . 0.0 110.547 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -76.38 -34.91 58.88 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.264 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.87 -51.08 71.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.055 176.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.39 -37.51 79.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.091 -175.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -63.86 -40.69 97.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.939 0.4 . . . . 0.0 110.562 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 45.8 ttp -68.87 -44.28 73.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.889 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 89.2 mt -75.98 -5.2 45.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.907 0.384 . . . . 0.0 111.02 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 23.1 t -84.7 -1.9 56.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.556 0.693 . . . . 0.0 109.842 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -84.58 90.43 7.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.341 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -77.52 94.83 4.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.956 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 1.4 p -93.23 70.6 4.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.685 0.755 . . . . 0.0 110.981 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -108.07 36.01 2.93 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.2 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -45.58 114.7 0.8 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.246 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -74.48 87.04 2.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.205 0.526 . . . . 0.0 111.606 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 24.5 m -104.11 11.73 8.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.767 0.794 . . . . 0.0 109.79 174.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 48.0 m -145.06 166.47 25.27 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.565 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.252 1.194 0 CA-C-O 118.503 -0.761 . . . . 0.0 110.129 -178.116 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.593 ' HA2' HG21 ' A' ' 10' ' ' THR . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -138.82 159.54 41.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 105.31 -176.41 22.5 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -177.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -70.85 -69.89 0.34 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -93.52 125.26 38.03 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 170.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -107.0 118.24 54.53 Favored Pre-proline 0 C--N 1.316 -0.876 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.048 -169.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HA ' ' OD2' ' A' ' 109' ' ' ASP . 86.2 Cg_endo -87.58 170.13 6.66 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.864 2.376 . . . . 0.0 111.318 172.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.448 HG23 ' HB2' ' A' ' 109' ' ' ASP . 6.2 pt -72.17 -12.43 15.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.693 0.282 . . . . 0.0 111.413 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -73.41 87.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.697 0.761 . . . . 0.0 111.769 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.593 HG21 ' HA2' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -147.32 -37.45 0.21 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.36 -1.291 . . . . 0.0 108.876 175.552 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.419 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 45.6 m-80 -101.57 127.7 30.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.119 170.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 11' ' ' ASN . 7.4 Cg_exo -65.62 -55.72 0.41 Allowed 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.627 2.218 . . . . 0.0 112.826 -172.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -72.25 -26.11 61.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.387 -174.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.89 77.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.102 0.477 . . . . 0.0 110.125 176.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.46 -34.85 68.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.874 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.482 ' HE2' HG12 ' A' ' 47' ' ' VAL . 50.7 ttm -59.55 -29.08 67.66 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.116 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.7 m -60.77 -36.32 78.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.956 0.408 . . . . 0.0 110.083 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.821 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -65.85 -41.44 91.69 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.06 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -60.29 -50.38 73.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.992 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.77 -42.12 97.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.983 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -69.14 -25.54 64.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.372 -177.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 22' ' ' LEU . 17.1 mt -63.97 -47.57 79.88 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.32 173.209 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.74 -41.02 88.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.113 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -62.18 -39.96 94.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.976 176.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.543 ' HA ' ' HD3' ' A' ' 28' ' ' ARG . 12.6 t -70.26 -35.53 73.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.956 0.407 . . . . 0.0 110.509 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.09 -38.7 75.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.013 0.435 . . . . 0.0 110.76 176.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.8 t -72.2 -21.44 61.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.442 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.543 ' HD3' ' HA ' ' A' ' 25' ' ' CYS . 1.6 ptm180 -94.29 -17.7 22.37 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 111.043 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.9 p -88.45 -43.95 11.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.954 0.407 . . . . 0.0 110.576 177.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.01 24.9 75.87 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.906 -0.588 . . . . 0.0 113.107 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.5 t -83.59 -27.69 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.373 0.606 . . . . 0.0 110.221 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.573 ' HB3' ' HB2' ' A' ' 36' ' ' GLN . 5.6 mp -86.59 154.28 21.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.012 -174.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 75.8 p -87.85 178.41 6.72 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.603 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.69 94.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.561 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -51.46 -52.97 41.94 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.465 176.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.573 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 42.5 mt-30 -67.64 -45.44 75.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.448 -176.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 86.3 mmm -64.7 -43.84 92.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.672 -177.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -63.43 -35.21 79.69 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.115 0.483 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.506 ' HB3' HG22 ' A' ' 77' ' ' VAL . 1.9 t70 -63.69 -45.08 91.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.385 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.421 ' O ' ' HB3' ' A' ' 43' ' ' MET . 91.3 mtp -66.94 -30.93 71.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.664 178.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.98 -50.02 67.14 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.999 177.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -68.22 -25.46 65.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.649 0.261 . . . . 0.0 110.328 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.424 ' O ' HG23 ' A' ' 47' ' ' VAL . 48.4 ttp -58.82 -54.3 48.7 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.06 0.457 . . . . 0.0 110.189 176.071 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.5 83.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.552 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.4 -42.54 92.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.308 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.2 p -64.85 -30.21 71.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.675 0.274 . . . . 0.0 111.3 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.482 HG12 ' HE2' ' A' ' 16' ' ' MET . 59.2 t -73.52 -42.14 56.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.253 0.549 . . . . 0.0 110.128 175.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -69.01 -41.9 77.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.702 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.686 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 12.4 p -64.8 -24.58 67.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.375 -178.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -65.64 -38.83 90.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 51' ' ' MET . 0.6 OUTLIER -67.35 -39.46 85.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.568 -179.097 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.686 ' HG2' ' HA ' ' A' ' 49' ' ' SER . 17.8 pt20 -77.08 -28.34 54.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.043 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -73.84 -36.19 64.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.033 0.444 . . . . 0.0 110.451 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 56.6 mtm -94.04 -163.23 1.02 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.083 177.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.16 -170.87 13.05 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.483 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.15 147.31 72.72 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.589 2.193 . . . . 0.0 111.742 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.2 m120 60.54 74.7 0.52 Allowed Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.887 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -88.28 172.01 5.24 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.911 2.407 . . . . 0.0 113.044 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -63.93 140.07 71.1 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.933 2.422 . . . . 0.0 111.934 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -65.65 -40.11 92.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.884 -176.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.563 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 11.6 p80 -63.55 -25.76 68.39 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.257 -178.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.551 ' O ' ' HG2' ' A' ' 66' ' ' MET . 96.5 mtt180 -71.48 -35.02 70.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.052 0.453 . . . . 0.0 110.104 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.92 -45.15 44.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.593 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 61' ' ' HIS . 1.8 ppt_? -60.46 -29.34 68.97 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.217 178.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.633 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -71.46 -45.0 63.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.948 178.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 97.2 mmm -59.78 -26.5 65.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.92 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' A' ' 64' ' ' ARG . 17.1 t-20 -52.24 -52.75 50.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.901 173.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.2 m -75.87 -33.65 59.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.381 -177.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.94 -48.12 83.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.043 0.449 . . . . 0.0 110.399 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.9 ttt -63.0 -44.7 95.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.809 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.39 93.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.445 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.91 92.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.985 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.559 ' O ' HG23 ' A' ' 77' ' ' VAL . 24.4 mm-40 -62.3 -47.55 83.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.439 178.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.44 -42.51 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 0.0 110.587 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.5 93.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.743 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -56.9 -39.46 74.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.535 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 73' ' ' GLU . 54.8 t -64.37 -48.22 86.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.107 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.443 HG11 ' CD1' ' A' ' 90' ' ' LEU . 36.4 t -72.31 -40.94 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.176 -177.254 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.59 -30.81 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 0.0 111.558 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.8 m -90.38 78.98 6.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.512 0.672 . . . . 0.0 110.368 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.8 p -158.35 168.85 11.61 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.343 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.09 142.11 97.66 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.012 1.808 . . . . 0.0 110.528 173.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.63 -20.53 69.38 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.502 2.135 . . . . 0.0 112.117 -171.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -88.29 -20.55 25.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.649 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.5 t -102.19 -16.7 16.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.139 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -51.42 -46.14 62.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.387 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.3 t -64.07 -41.82 97.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.687 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.69 -48.31 77.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.027 0.441 . . . . 0.0 110.648 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.471 HG13 ' HG ' ' A' ' 32' ' ' LEU . 93.9 t -63.96 -44.07 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.77 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.695 HD11 HG11 ' A' ' 120' ' ' VAL . 26.5 tp -61.85 -47.22 86.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 -177.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.53 -38.35 84.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.048 0.451 . . . . 0.0 110.336 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.6 m -64.12 -54.12 38.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.811 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.507 ' HA ' HD13 ' A' ' 93' ' ' ILE . 0.7 OUTLIER -60.3 -46.66 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 179.09 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.54 -40.4 87.0 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.487 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.72 75.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.684 0.278 . . . . 0.0 110.747 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.521 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 96.6 m -64.89 -39.35 93.4 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.492 -179.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.821 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 7.3 mp -54.31 -40.0 67.52 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.031 0.443 . . . . 0.0 111.084 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -67.1 -45.83 76.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.912 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.521 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 11.9 pt-20 -77.51 -36.06 52.92 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.499 -176.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.0 m -60.84 -35.3 76.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.428 176.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.481 ' SD ' ' HG3' ' A' ' 18' ' ' MET . 13.0 mmt -66.03 -44.2 85.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.881 177.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.459 ' O ' ' HA2' ' A' ' 106' ' ' GLY . 33.3 ttm -71.91 -21.7 61.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.924 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 99' ' ' GLU . 79.9 mt-30 -82.22 -40.84 21.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.962 0.41 . . . . 0.0 110.173 175.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.05 -53.17 10.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.802 -177.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.5 p -107.38 -33.1 7.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.085 0.469 . . . . 0.0 111.347 -175.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 102' ' ' MET . . . 104.19 -1.46 43.83 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.333 -176.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.6 p -132.09 148.48 52.49 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.342 -0.429 . . . . 0.0 109.902 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.2 t -85.12 103.63 12.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.086 0.469 . . . . 0.0 110.903 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.448 ' HB2' HG23 ' A' ' 8' ' ' ILE . 10.2 t70 -72.0 131.42 42.89 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 173.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -105.36 -27.42 11.49 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.468 -175.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.23 90.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -73.97 -49.18 25.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.316 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.701 ' HA ' HD23 ' A' ' 97' ' ' LEU . 7.8 m -56.97 -40.95 77.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.552 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.495 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 11.3 t30 -69.41 -43.16 74.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.557 0.218 . . . . 0.0 110.473 178.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.21 -48.15 76.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -177.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.466 HG21 HD21 ' A' ' 97' ' ' LEU . 61.1 t -61.57 -40.16 85.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.377 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.422 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 31.2 mmt -66.4 -29.59 69.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -176.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 11.2 mm100 -85.47 -38.06 19.03 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.36 -179.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.03 -47.96 76.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.295 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.695 HG11 HD11 ' A' ' 90' ' ' LEU . 13.2 p -66.33 -34.19 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.652 -174.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 117' ' ' MET . 95.7 mttt -65.23 -46.22 81.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.324 0.583 . . . . 0.0 110.211 178.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 34.1 ttp -66.04 -39.16 89.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.429 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.403 HD11 HG21 ' B' ' 68' ' ' THR . 72.3 mt -71.15 -9.94 58.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.645 0.259 . . . . 0.0 111.633 -177.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.0 t -106.37 6.69 30.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.689 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -158.75 -160.9 0.91 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.193 0.52 . . . . 0.0 111.172 -175.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -156.41 139.41 15.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.349 175.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 43.3 m -149.41 148.36 29.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.812 0.339 . . . . 0.0 110.098 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -101.4 41.77 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.997 0.427 . . . . 0.0 110.5 -177.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -53.29 115.24 1.8 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.247 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -127.21 74.84 1.54 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.771 0.796 . . . . 0.0 109.296 171.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 28.4 m -85.76 -19.98 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.421 -176.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.1 p -111.27 158.23 19.23 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.235 178.729 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.199 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m 60.38 72.94 0.5 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.388 0.613 . . . . 0.0 111.478 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.71 -171.29 43.68 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.79 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -74.71 -54.94 6.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.998 0.428 . . . . 0.0 109.847 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 24.6 m -90.27 156.0 18.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.7 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -116.45 90.7 31.13 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 120.961 0.41 . . . . 0.0 110.781 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -90.02 161.08 4.9 Favored 'Trans proline' 0 N--CA 1.453 -0.912 0 C-N-CA 122.933 2.422 . . . . 0.0 112.115 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.966 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.6 pp -74.76 -20.9 16.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.22 0.533 . . . . 0.0 110.937 178.277 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.405 ' CD1' ' HB3' ' B' ' 63' ' ' LEU . 1.9 t-105 -80.22 74.37 7.05 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.464 0.65 . . . . 0.0 110.607 -171.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 17.8 m -122.33 -25.0 4.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.078 175.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -111.53 137.96 21.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.152 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -67.12 -43.22 6.69 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.628 2.219 . . . . 0.0 112.408 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -62.38 -44.45 96.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.151 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.28 99.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.134 0.492 . . . . 0.0 110.593 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.92 -43.6 95.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.715 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 41.1 ttm -62.08 -39.14 91.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.294 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 36.4 m -59.19 -45.71 90.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.693 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' MET . . . . . 1.017 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -59.1 -43.91 91.91 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.5 m -61.43 -50.77 71.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.986 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.35 -42.63 98.93 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -65.51 -29.6 70.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.269 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' B' ' 22' ' ' LEU . 24.7 mt -64.31 -46.39 83.77 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 173.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.78 -43.83 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.149 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 48.5 mt-30 -61.68 -44.35 97.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 177.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 0.547 ' HA ' ' HD3' ' B' ' 28' ' ' ARG . 8.5 t -67.1 -32.02 72.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.964 0.411 . . . . 0.0 110.62 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.473 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -70.86 -40.5 72.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.242 0.544 . . . . 0.0 110.938 175.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 24.2 t -66.15 -39.6 89.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.793 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.547 ' HD3' ' HA ' ' B' ' 25' ' ' CYS . 3.0 ptm180 -75.65 -31.92 60.0 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.388 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.3 p -72.09 -49.59 35.1 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.534 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.87 24.08 62.8 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.552 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.442 HG13 HD12 ' B' ' 32' ' ' LEU . 12.6 p -95.94 -6.22 9.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.444 0.64 . . . . 0.0 110.445 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 6.1 mp -101.4 150.49 22.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.577 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 72.5 p -90.31 -179.33 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.891 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.0 -44.81 87.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.2 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.596 ' O ' ' HB2' ' B' ' 39' ' ' ASP . 16.2 m-20 -62.62 -41.39 98.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.576 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.507 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 52.3 mt-30 -70.07 -44.14 69.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.038 -179.034 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 83.9 mmm -67.62 -50.4 58.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.797 -177.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.06 -34.33 76.06 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.036 0.446 . . . . 0.0 110.307 -178.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.596 ' HB2' ' O ' ' B' ' 35' ' ' ASP . 0.4 OUTLIER -59.42 -53.66 55.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.499 177.422 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.587 ' HG2' HG21 ' B' ' 77' ' ' VAL . 1.1 mtm -66.63 -30.94 71.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.614 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.33 -46.41 90.74 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.33 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.42 ' HG2' ' O ' ' B' ' 39' ' ' ASP . 24.9 ptt? -71.01 -24.23 62.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.049 0.452 . . . . 0.0 110.034 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' MET . . . . . 0.675 ' SD ' ' HG2' ' B' ' 70' ' ' MET . 53.9 ttp -59.43 -52.31 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.265 174.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.24 85.81 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.634 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -55.76 -43.01 76.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.464 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 64.6 m -63.74 -38.33 90.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.857 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 43' ' ' MET . 18.8 t -65.17 -40.36 88.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.156 0.503 . . . . 0.0 109.994 177.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -67.88 -47.08 69.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.541 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 4.4 p -64.08 -33.48 75.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.316 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -58.79 -45.11 90.61 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.676 0.274 . . . . 0.0 110.838 175.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 74.7 mtp -59.13 -32.91 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.757 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -79.15 -24.93 42.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.26 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' B' ' 49' ' ' SER . 2.7 mmmp? -81.99 -20.08 39.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.11 0.481 . . . . 0.0 110.659 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 76.5 mtm -104.23 -66.95 0.92 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.098 -178.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.96 -174.45 19.88 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 -176.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.71 151.57 36.55 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.515 2.143 . . . . 0.0 112.075 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 15.9 m120 59.39 70.26 1.14 Allowed Pre-proline 0 N--CA 1.465 0.291 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.725 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -83.84 168.27 12.46 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.583 2.188 . . . . 0.0 113.206 -175.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -67.0 140.44 54.52 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 123.048 2.499 . . . . 0.0 111.935 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -66.22 -33.58 76.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.754 -177.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.58 ' HA ' ' HG3' ' B' ' 64' ' ' ARG . 4.6 p80 -67.45 -32.7 73.73 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.867 -177.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -68.45 -23.62 64.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.248 0.547 . . . . 0.0 109.65 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.405 ' HB3' ' CD1' ' B' ' 9' ' ' TRP . 96.9 mt -80.72 -43.63 19.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.766 177.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.58 ' HG3' ' HA ' ' B' ' 61' ' ' HIS . 2.2 ppt_? -65.88 -22.88 66.55 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.756 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.67 -51.57 10.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.636 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.476 ' HA ' ' HB3' ' B' ' 69' ' ' ALA . 92.6 mmm -62.23 -22.48 65.99 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.401 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -55.47 -44.03 76.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.154 0.502 . . . . 0.0 109.785 173.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.403 HG21 HD11 ' A' ' 123' ' ' LEU . 71.0 m -81.47 -34.35 31.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.96 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' B' ' 66' ' ' MET . . . -59.56 -54.83 41.97 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' MET . . . . . 0.675 ' HG2' ' SD ' ' B' ' 43' ' ' MET . 10.8 tmm? -59.66 -42.12 92.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.623 0.725 . . . . 0.0 110.326 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' ALA . . . . . 0.594 ' HB2' ' CE1' ' B' ' 112' ' ' PHE . . . -65.79 -39.89 91.39 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.464 -177.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.71 96.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.742 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.459 ' O ' HG23 ' B' ' 77' ' ' VAL . 3.0 mm-40 -56.06 -56.64 18.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.637 175.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.478 HG22 ' SD ' ' B' ' 40' ' ' MET . 65.4 t -53.43 -49.01 56.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.532 178.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.82 99.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.529 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.633 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 40.6 tt0 -66.07 -39.26 89.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.743 0.306 . . . . 0.0 110.25 178.147 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.587 HG21 ' HG2' ' B' ' 40' ' ' MET . 41.6 t -57.32 -39.99 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.588 175.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 74' ' ' VAL . 77.0 t -71.38 -52.11 28.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.034 177.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.418 ' HB2' HG23 ' B' ' 120' ' ' VAL . . . -60.42 -35.71 76.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.22 -176.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 15.3 m -87.33 77.55 8.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.46 0.648 . . . . 0.0 110.731 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 66.4 p -156.72 165.32 19.01 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.039 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.0 142.48 99.44 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.076 1.851 . . . . 0.0 110.511 174.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -62.4 -20.99 72.08 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.332 2.021 . . . . 0.0 111.893 -173.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -80.02 -19.38 47.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.113 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.421 ' O ' HG23 ' B' ' 89' ' ' VAL . 11.0 t -111.25 -19.12 12.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.322 -177.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -51.32 -47.31 62.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.862 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 11.1 t -64.01 -39.3 93.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.853 0.359 . . . . 0.0 110.709 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.94 -46.07 72.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 85' ' ' SER . 59.5 t -62.89 -42.89 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.292 178.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.32 -52.21 66.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.388 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -60.22 -34.63 73.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.346 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 97.5 m -68.97 -55.57 10.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.725 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.2 mm -59.08 -46.14 92.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.085 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.25 -41.8 71.59 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.624 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.02 -37.81 57.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.564 0.221 . . . . 0.0 111.347 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' CYS . . . . . 0.456 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 89.7 m -63.63 -33.59 75.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.002 179.152 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 1.017 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 3.1 mp -58.4 -43.21 88.49 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.472 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -63.48 -48.43 77.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.56 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' B' ' 103' ' ' GLN . 13.2 pt-20 -70.48 -38.81 74.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.096 -176.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 74.0 m -59.5 -38.54 81.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.741 0.305 . . . . 0.0 110.7 177.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.665 ' HE1' ' HG3' ' B' ' 18' ' ' MET . 13.7 mmt -62.79 -42.76 99.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.922 178.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 102' ' ' MET . . . . . 0.409 ' O ' ' HA2' ' B' ' 106' ' ' GLY . 36.0 ttm -75.57 -21.12 58.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' B' ' 99' ' ' GLU . 17.2 mm-40 -83.0 -28.43 29.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.06 0.457 . . . . 0.0 110.279 175.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.14 -67.51 0.81 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.419 -177.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.966 HG21 ' HB ' ' B' ' 8' ' ' ILE . 82.3 p -92.08 -31.71 15.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.183 0.516 . . . . 0.0 110.614 -177.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 106' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' B' ' 102' ' ' MET . . . 103.17 -1.95 47.3 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -176.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' B' ' 101' ' ' MET . 22.9 p -131.95 149.97 52.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.443 -0.379 . . . . 0.0 110.194 -178.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 57.4 t -88.91 110.51 21.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.861 -179.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -86.79 109.22 19.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -82.29 -25.42 34.02 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.009 -0.277 . . . . 0.0 110.714 -177.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.18 -48.45 81.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.962 0.41 . . . . 0.0 110.925 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.594 ' CE1' ' HB2' ' B' ' 71' ' ' ALA . 78.9 t80 -67.6 -51.89 45.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.362 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.607 ' HA ' HD23 ' B' ' 97' ' ' LEU . 16.0 m -54.56 -34.76 62.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.669 177.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 114' ' ' ASN . . . . . 0.419 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 9.5 t30 -71.19 -40.67 71.08 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 177.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -54.84 -49.27 71.49 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.285 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.537 HG21 HD21 ' B' ' 97' ' ' LEU . 98.9 t -59.85 -36.59 67.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.439 -178.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 117' ' ' MET . . . . . 0.551 ' O ' ' HG3' ' B' ' 121' ' ' LYS . 31.1 mmt -70.24 -35.16 73.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.029 0.442 . . . . 0.0 110.197 -177.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' B' ' 114' ' ' ASN . 14.1 mm100 -75.24 -42.43 55.3 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.414 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 13.3 mt -55.75 -47.6 76.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.121 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' VAL . . . . . 0.418 HG23 ' HB2' ' B' ' 79' ' ' ALA . 11.9 p -70.22 -35.14 61.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.323 -175.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 121' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' B' ' 117' ' ' MET . 96.8 mttt -67.09 -45.58 76.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.035 0.445 . . . . 0.0 110.192 177.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 31.7 ttp -64.36 -40.11 95.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.018 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 80.0 mt -72.72 -11.69 60.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 111.279 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 18.3 t -98.93 7.92 45.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.125 0.488 . . . . 0.0 109.987 176.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -155.09 -151.5 0.35 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.93 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -145.15 92.01 2.21 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 173.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 16.5 m -84.48 106.48 16.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.108 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' ALA . . . . . 0.415 ' HB2' HE22 ' A' ' 118' ' ' GLN . . . -120.96 20.77 11.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.233 -178.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -68.88 143.38 54.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.034 0.445 . . . . 0.0 111.037 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -101.7 92.1 4.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.655 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 13.0 m -116.6 11.7 7.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.613 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 16.4 p -84.88 96.12 9.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.091 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 31.9 m . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.751 -0.642 . . . . 0.0 109.904 176.306 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -82.94 -43.36 16.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.87 -54.01 2.55 Favored Glycine 0 C--N 1.333 0.403 0 CA-C-N 115.768 -0.651 . . . . 0.0 113.471 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -74.03 130.41 39.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.042 0.448 . . . . 0.0 111.15 -175.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -92.93 145.43 24.39 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -103.2 109.42 61.61 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 -175.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -87.11 -178.39 2.48 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.956 2.437 . . . . 0.0 111.929 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.669 ' HB ' HG21 ' A' ' 105' ' ' THR . 0.9 OUTLIER -86.57 -4.73 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.98 0.419 . . . . 0.0 110.885 -179.665 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -87.14 75.3 9.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.252 0.549 . . . . 0.0 111.431 -176.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 p -120.87 -42.08 2.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.799 172.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -109.94 126.14 29.66 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.459 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -66.28 -33.27 39.59 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.675 2.25 . . . . 0.0 112.569 -175.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -71.92 -32.93 67.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.889 0.376 . . . . 0.0 110.32 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.48 86.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.095 0.474 . . . . 0.0 109.979 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.82 90.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.311 175.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.0 ttm -60.78 -29.66 69.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.856 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.5 m -62.36 -40.45 96.46 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.499 ' HE3' ' HG ' ' A' ' 97' ' ' LEU . 12.0 tpt -62.56 -42.19 99.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.305 174.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -63.39 -52.08 63.12 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.206 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -63.72 -44.89 92.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.302 -177.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.57 -33.82 75.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 0.0 110.555 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.666 HD11 HD12 ' A' ' 97' ' ' LEU . 12.3 tp -64.21 -45.39 88.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.278 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.7 t -66.28 -41.53 89.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.811 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -64.26 -35.22 80.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.658 0.266 . . . . 0.0 110.503 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.05 -35.06 79.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.341 0.591 . . . . 0.0 109.938 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -74.2 -35.73 63.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.292 0.568 . . . . 0.0 110.96 177.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.1 t -71.44 -26.47 62.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.266 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -90.01 -22.66 21.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.616 0.246 . . . . 0.0 111.107 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 p -82.21 -39.83 22.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.717 0.294 . . . . 0.0 110.922 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.25 8.92 80.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.63 177.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.586 HG13 HD12 ' A' ' 32' ' ' LEU . 14.2 p -79.12 -21.32 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.967 0.413 . . . . 0.0 110.389 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.586 HD12 HG13 ' A' ' 31' ' ' VAL . 5.4 mp -94.94 151.9 18.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.997 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.513 ' O ' ' HG2' ' A' ' 37' ' ' MET . 44.6 p -85.16 170.1 13.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.285 178.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.84 -30.56 71.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.95 0.405 . . . . 0.0 110.628 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.12 -54.0 51.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.552 174.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.461 ' HB3' ' CG1' ' A' ' 77' ' ' VAL . 47.8 mt-30 -65.44 -31.63 72.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.325 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 33' ' ' THR . 88.1 mmm -68.8 -27.14 65.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.057 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.515 ' HB3' ' CE1' ' B' ' 61' ' ' HIS . 35.3 t70 -82.03 -28.42 32.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 177.444 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.525 ' OD2' ' HB2' ' B' ' 65' ' ' ALA . 0.9 OUTLIER -56.33 -60.86 2.91 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.501 0.667 . . . . 0.0 109.574 170.293 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.598 ' HG3' HG21 ' A' ' 77' ' ' VAL . 86.3 mtp -67.11 -26.42 66.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.704 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.13 -49.94 63.55 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.9 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.477 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 12.5 ptt? -71.81 -19.74 61.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.02 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.469 ' O ' HG23 ' A' ' 47' ' ' VAL . 57.4 ttp -60.52 -53.23 60.05 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 174.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.79 93.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.23 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.477 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 27.4 t70 -59.12 -42.63 91.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.042 177.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m -65.77 -33.85 76.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.82 0.343 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 43' ' ' MET . 47.8 t -70.01 -46.06 74.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.038 0.447 . . . . 0.0 110.009 176.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -64.76 -46.56 81.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.875 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.734 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 15.7 p -64.35 -33.53 76.05 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.3 -178.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.62 ' O ' ' HG2' ' A' ' 54' ' ' MET . 41.5 mt-30 -67.46 -33.69 75.64 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.241 -0.583 . . . . 0.0 111.294 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.516 ' HA ' ' HG2' ' A' ' 54' ' ' MET . 55.8 mtp -67.74 -21.42 65.28 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -97.03 -13.61 22.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.833 0.349 . . . . 0.0 110.789 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.734 ' HG2' ' O ' ' A' ' 49' ' ' SER . 75.0 mmtt -80.65 -35.02 34.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.261 0.553 . . . . 0.0 109.555 171.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.62 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 24.7 ptp -90.16 172.86 8.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.219 179.011 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -111.51 -172.47 19.36 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.874 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.68 129.18 26.84 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.668 2.245 . . . . 0.0 111.595 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.8 t30 59.23 84.5 0.2 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.853 -172.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.562 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 74.2 Cg_endo -74.09 167.88 26.13 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.083 2.522 . . . . 0.0 112.795 -174.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -58.97 125.31 17.83 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.349 2.033 . . . . 0.0 111.412 174.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -58.87 -36.27 74.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.342 -175.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.781 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 5.5 p80 -68.1 -20.2 64.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.171 0.51 . . . . 0.0 110.854 -178.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.57 ' O ' ' HG3' ' A' ' 66' ' ' MET . 33.8 ttt180 -73.36 -36.95 66.2 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.54 -41.17 93.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.697 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.781 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 38.8 ptt180 -61.3 -40.17 93.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.447 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.523 ' HA ' ' HG3' ' B' ' 76' ' ' GLU . . . -68.67 -41.47 79.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.93 0.395 . . . . 0.0 111.133 178.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.57 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 82.1 mtp -67.39 -20.9 65.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.572 -176.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -56.96 -51.99 66.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.852 0.358 . . . . 0.0 110.344 174.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.49 HG22 ' HB1' ' B' ' 72' ' ' ALA . 7.1 m -72.78 -26.8 61.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.875 -178.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.04 -61.07 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.381 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.418 ' HB3' ' HE2' ' A' ' 70' ' ' MET . 57.7 ttp -60.57 -35.92 77.24 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.883 0.373 . . . . 0.0 110.582 -179.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' HB2' ' CE1' ' A' ' 112' ' ' PHE . . . -65.11 -52.77 53.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.512 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.86 83.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.424 -176.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.601 ' O ' HG23 ' A' ' 77' ' ' VAL . 9.9 mm-40 -59.94 -48.03 83.36 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.782 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.29 -44.66 98.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.323 . . . . 0.0 111.05 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.5 -39.37 90.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.645 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -59.51 -44.48 93.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.739 176.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 73' ' ' GLU . 69.1 t -61.57 -44.49 98.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.328 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.29 -47.2 47.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.401 -177.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.38 -38.51 91.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 111.395 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.405 HG21 ' HD2' ' B' ' 64' ' ' ARG . 4.7 m -86.36 68.02 10.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.443 0.64 . . . . 0.0 110.202 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.1 m -137.46 160.74 64.17 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.21 178.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.87 136.27 72.45 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.733 1.622 . . . . 0.0 110.384 173.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -62.84 -15.27 46.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.612 2.208 . . . . 0.0 112.463 -172.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -80.08 -13.69 59.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.232 -178.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.5 t -132.69 7.56 4.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.766 0.317 . . . . 0.0 111.221 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -57.63 -49.78 75.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.549 -178.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 t -65.29 -35.5 81.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.78 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.0 -49.69 71.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.081 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.74 -43.64 98.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.04 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.8 -51.55 69.12 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.399 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -55.61 -43.52 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.33 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.2 m -61.56 -56.63 17.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.225 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.4 mm -59.56 -45.27 94.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.318 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.81 -36.72 73.86 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.492 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.87 -39.24 51.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.656 0.265 . . . . 0.0 110.821 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.528 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 72.2 m -62.29 -40.77 97.37 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.682 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.666 HD12 HD11 ' A' ' 22' ' ' LEU . 6.3 mp -54.19 -40.34 67.47 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.906 0.384 . . . . 0.0 111.211 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.47 ' HG3' HG11 ' A' ' 108' ' ' VAL . 76.7 ttt180 -64.58 -48.98 72.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.733 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.528 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 14.8 pt-20 -76.32 -32.59 58.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.383 -174.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.4 m -63.81 -41.08 97.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.923 -0.126 . . . . 0.0 110.665 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.46 ' HB3' ' O ' ' A' ' 107' ' ' SER . 11.4 mmt -63.51 -41.62 98.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.933 0.397 . . . . 0.0 110.95 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 28.6 ttm -70.27 -19.97 63.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -96.87 -6.08 36.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.184 0.516 . . . . 0.0 110.549 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -99.89 -58.9 1.82 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.789 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.669 HG21 ' HB ' ' A' ' 8' ' ' ILE . 79.8 p -111.83 -16.52 13.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.118 0.485 . . . . 0.0 111.261 -177.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.19 1.56 69.47 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.694 -177.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' A' ' 101' ' ' MET . 14.9 m -131.74 153.17 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.339 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.47 HG11 ' HG3' ' A' ' 98' ' ' ARG . 77.9 t -104.27 103.3 15.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.934 0.397 . . . . 0.0 110.726 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.7 119.73 20.13 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.364 175.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -81.08 -23.45 38.47 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.562 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.01 77.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.686 0.279 . . . . 0.0 110.88 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 71' ' ' ALA . 71.1 t80 -71.47 -50.95 26.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.518 -179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.656 ' HA ' HD23 ' A' ' 97' ' ' LEU . 8.6 m -54.71 -40.87 69.65 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.632 178.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.547 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 63.7 t30 -70.21 -42.0 72.92 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -53.15 -50.92 63.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.735 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.564 ' HA ' HD12 ' A' ' 119' ' ' LEU . 59.5 t -64.37 -32.73 58.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.425 -178.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.495 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 27.3 mmt -72.48 -35.94 68.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.124 0.488 . . . . 0.0 109.982 -178.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 75.4 mm-40 -74.85 -37.59 62.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.863 178.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 116' ' ' VAL . 12.6 mt -55.6 -53.39 57.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.85 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.16 -31.27 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.414 -174.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 117' ' ' MET . 96.0 mttt -71.0 -45.26 64.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.053 176.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.508 ' HE1' HD23 ' B' ' 119' ' ' LEU . 43.5 ttp -60.62 -43.53 97.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.98 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 86.0 mt -66.89 -29.96 69.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 110.726 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.0 t -83.15 -10.2 58.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.63 0.729 . . . . 0.0 110.076 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -97.89 19.02 14.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.252 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -96.0 111.64 23.59 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 175.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.8 p -55.57 100.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.792 0.683 . . . . 0.0 112.536 -173.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -131.57 22.69 4.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.387 0.613 . . . . 0.0 109.982 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -99.31 -179.58 4.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.279 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -104.88 115.48 30.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.422 0.63 . . . . 0.0 110.441 178.746 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 31.5 m -80.26 -25.18 11.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.653 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.6 t -173.44 126.26 0.41 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.191 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 8.4 p . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.175 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 111.936 -0.466 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -144.02 10.86 1.55 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.505 0.669 . . . . 0.0 109.959 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.32 -85.23 1.41 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.427 -177.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -130.06 143.53 50.84 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.426 ' O ' ' HD3' ' B' ' 7' ' ' PRO . 70.5 m -62.34 135.19 57.34 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 175.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -99.29 106.15 37.15 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.32 -177.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' B' ' 5' ' ' SER . 92.3 Cg_endo -86.78 179.88 3.19 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 122.837 2.358 . . . . 0.0 112.177 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.973 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.6 pp -81.02 -19.43 11.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.603 0.716 . . . . 0.0 110.421 178.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.45 ' HZ3' ' HE1' ' B' ' 70' ' ' MET . 20.7 t-105 -90.11 29.82 1.17 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.673 -168.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.1 p -92.21 -8.52 45.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.225 0.536 . . . . 0.0 110.219 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.554 ' HB2' ' HB3' ' B' ' 14' ' ' ALA . 83.0 m-20 -118.35 127.84 26.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.347 178.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.29 -44.32 2.47 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.669 2.246 . . . . 0.0 113.249 -173.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -76.42 -34.56 58.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.677 0.275 . . . . 0.0 110.546 -178.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.554 ' HB3' ' HB2' ' B' ' 11' ' ' ASN . . . -64.27 -38.37 90.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.114 0.483 . . . . 0.0 109.881 174.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.56 -44.19 94.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.224 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' MET . . . . . 0.444 ' HE3' ' SD ' ' B' ' 51' ' ' MET . 39.2 ttm -59.01 -27.29 65.3 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.914 177.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 14.9 m -63.1 -40.05 96.49 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.343 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.485 ' CE ' ' HG ' ' B' ' 97' ' ' LEU . 12.1 ttt -63.16 -43.51 98.08 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 175.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.22 -46.2 86.33 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.669 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.89 -42.94 80.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.95 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -64.48 -33.11 75.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.818 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' B' ' 18' ' ' MET . 54.7 mt -61.81 -46.82 87.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.332 . . . . 0.0 110.577 175.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.32 -41.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.419 178.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -63.46 -40.18 96.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.978 176.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 0.61 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 49.0 t -68.56 -39.41 81.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.938 0.399 . . . . 0.0 110.561 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.476 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -64.68 -37.34 87.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.091 0.472 . . . . 0.0 110.491 175.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 47.2 t -72.1 -30.52 65.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.831 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' B' ' 25' ' ' CYS . 9.0 ptm180 -82.84 -15.32 52.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.734 0.302 . . . . 0.0 110.696 -178.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.6 p -94.86 -49.11 5.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.725 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.88 20.41 70.71 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.392 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.542 HG13 HD12 ' B' ' 32' ' ' LEU . 14.9 p -88.16 -12.88 10.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.176 0.512 . . . . 0.0 110.399 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.542 HD12 HG13 ' B' ' 31' ' ' VAL . 5.7 mp -102.9 153.61 20.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.284 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' THR . . . . . 0.423 ' O ' ' HG2' ' B' ' 37' ' ' MET . 78.6 p -87.91 167.65 13.57 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.138 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.72 -33.83 73.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.998 0.428 . . . . 0.0 110.725 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -54.73 -50.84 67.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.962 174.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.472 HE22 ' HB3' ' B' ' 81' ' ' SER . 93.8 mt-30 -71.95 -35.76 69.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.323 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' B' ' 33' ' ' THR . 95.5 mmm -66.3 -33.09 74.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.12 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -74.92 -32.5 61.8 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.445 ' HB3' HG22 ' B' ' 77' ' ' VAL . 0.8 OUTLIER -55.55 -52.6 63.17 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.205 0.526 . . . . 0.0 110.232 170.557 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.473 ' O ' ' HB3' ' B' ' 43' ' ' MET . 87.7 mtp -68.58 -33.64 74.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.956 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.11 -46.26 91.63 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.169 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.431 ' SD ' ' HG3' ' A' ' 62' ' ' ARG . 18.6 ptt? -73.76 -19.98 60.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.096 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' MET . . . . . 0.473 ' HB3' ' O ' ' B' ' 40' ' ' MET . 47.0 ttp -62.24 -48.16 81.18 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 173.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.71 -35.96 82.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.315 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.34 -38.68 92.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.383 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 33.0 t -63.42 -42.7 98.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.397 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 43' ' ' MET . 41.1 t -62.21 -39.51 84.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.356 0.598 . . . . 0.0 109.656 176.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -64.76 -46.74 80.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.992 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.628 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 11.4 p -69.41 -26.4 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.524 -177.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.572 ' O ' ' HG2' ' B' ' 54' ' ' MET . 16.0 mm100 -74.17 -24.54 59.4 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.089 -0.382 . . . . 0.0 110.901 175.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' MET . . . . . 0.444 ' SD ' ' HE3' ' B' ' 16' ' ' MET . 52.5 mtp -76.41 -20.58 56.96 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.138 176.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.531 ' HG2' ' HA ' ' B' ' 49' ' ' SER . 10.0 pt20 -93.92 -13.23 27.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.915 0.388 . . . . 0.0 110.458 174.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' B' ' 49' ' ' SER . 34.8 mmtp -71.25 -35.76 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 169.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' MET . . . . . 0.572 ' HG2' ' O ' ' B' ' 50' ' ' GLN . 22.2 ptp -96.96 -175.49 3.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.585 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.83 -144.61 4.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.566 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -70.99 -20.49 28.99 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.186 2.591 . . . . 0.0 112.23 -178.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -130.4 79.37 72.55 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.12 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.549 ' HB3' ' HB2' ' B' ' 54' ' ' MET . 91.8 Cg_endo -81.03 160.53 20.8 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.428 2.085 . . . . 0.0 113.142 -178.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.407 ' HB2' ' CD2' ' B' ' 61' ' ' HIS . 74.3 Cg_endo -80.62 111.6 2.58 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.09 2.527 . . . . 0.0 111.302 174.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.94 -23.81 65.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.668 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.65 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 5.7 p80 -69.1 -25.57 64.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.103 0.478 . . . . 0.0 110.539 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' B' ' 66' ' ' MET . 95.0 mtt180 -73.51 -21.98 60.25 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.446 175.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 79.4 mt -76.84 -37.37 55.76 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.444 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 50.3 ptt85 -63.87 -35.9 82.17 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.397 -0.521 . . . . 0.0 109.671 176.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.525 ' HB2' ' OD2' ' A' ' 39' ' ' ASP . . . -68.38 -41.16 80.99 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.905 0.384 . . . . 0.0 111.034 175.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' B' ' 62' ' ' ARG . 61.1 mtp -67.51 -24.87 65.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.78 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -57.57 -56.2 25.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.898 0.38 . . . . 0.0 110.161 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 12.6 m -69.14 -24.33 64.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.908 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.2 -58.56 7.82 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.986 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' MET . . . . . 0.45 ' HE1' ' HZ3' ' B' ' 9' ' ' TRP . 47.4 ttp -61.77 -39.82 93.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.204 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' ALA . . . . . 0.538 ' HB1' HG22 ' B' ' 116' ' ' VAL . . . -59.52 -48.08 83.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.408 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.49 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -69.89 -36.97 75.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.372 -178.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.553 ' O ' HG23 ' B' ' 77' ' ' VAL . 28.5 mm-40 -59.29 -46.05 89.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.773 0.321 . . . . 0.0 110.415 177.238 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.14 -44.63 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 177.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.46 91.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.813 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.523 ' HG3' ' HA ' ' A' ' 65' ' ' ALA . 5.6 tm-20 -58.64 -49.26 78.18 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.99 176.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.553 HG23 ' O ' ' B' ' 73' ' ' GLU . 94.7 t -58.03 -44.36 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.267 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.3 t -70.37 -42.89 78.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.107 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.34 -39.94 85.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.426 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' THR . . . . . 0.659 HG21 ' HD2' ' A' ' 64' ' ' ARG . 22.9 m -80.41 79.88 6.94 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.544 0.687 . . . . 0.0 110.218 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.472 ' HB3' HE22 ' B' ' 36' ' ' GLN . 55.4 p -151.74 172.55 5.32 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.94 179.198 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.77 127.98 20.97 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.182 1.255 . . . . 0.0 109.673 169.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.92 -14.46 37.06 Favored 'Trans proline' 0 CA--C 1.526 0.117 0 C-N-CA 122.799 2.332 . . . . 0.0 112.578 -170.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -85.39 -17.29 37.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.944 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 32.2 t -117.48 3.64 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.385 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -56.07 -42.67 77.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.515 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 35.4 t -61.99 -42.23 98.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.191 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.49 -50.0 71.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.01 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.2 -42.13 94.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.384 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.29 -53.11 62.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.634 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -57.66 -37.18 72.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.514 -178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.422 ' OG1' HG11 ' B' ' 31' ' ' VAL . 87.0 m -62.89 -59.04 5.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.456 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.0 OUTLIER -56.85 -40.64 72.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.187 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -53.0 -46.73 60.94 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 121.209 -0.519 . . . . 0.0 112.373 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.33 -36.07 61.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.712 0.291 . . . . 0.0 110.873 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' CYS . . . . . 0.563 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 89.2 m -59.62 -37.83 79.68 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' B' ' 113' ' ' THR . 4.7 mp -58.34 -42.16 86.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.891 0.377 . . . . 0.0 110.834 178.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -65.86 -49.6 67.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.462 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.563 ' HG2' ' HA ' ' B' ' 96' ' ' CYS . 10.1 pt-20 -69.04 -32.64 72.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.224 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 67.2 m -62.52 -39.85 94.85 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.389 0.137 . . . . 0.0 110.675 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.439 ' HB3' ' O ' ' B' ' 107' ' ' SER . 15.2 mmt -61.71 -47.34 85.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.887 178.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 14.2 ttm -66.76 -33.67 76.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -85.17 -3.57 58.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.918 0.389 . . . . 0.0 111.442 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -106.59 -63.97 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.186 0.517 . . . . 0.0 111.146 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.973 HG21 ' HB ' ' B' ' 8' ' ' ILE . 75.9 p -100.14 -25.35 14.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.242 -174.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 99.96 -0.93 56.36 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' SER . . . . . 0.439 ' O ' ' HB3' ' B' ' 101' ' ' MET . 39.6 m -132.73 154.15 50.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.097 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 55.6 t -111.0 119.71 60.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.99 0.424 . . . . 0.0 111.328 -178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -100.96 123.52 45.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.915 173.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -91.21 -16.52 27.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.671 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.83 77.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.781 0.324 . . . . 0.0 110.888 -177.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.418 ' O ' HG23 ' B' ' 116' ' ' VAL . 82.4 t80 -64.55 -54.88 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.043 177.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.534 ' HA ' HD23 ' B' ' 97' ' ' LEU . 13.9 m -48.78 -45.49 40.16 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.999 176.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 114' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 41.6 t30 -60.7 -47.45 86.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.988 0.423 . . . . 0.0 110.916 177.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -63.41 -36.76 84.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.771 -176.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.625 ' HA ' HD12 ' B' ' 119' ' ' LEU . 64.1 t -65.8 -34.39 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 176.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 117' ' ' MET . . . . . 0.51 ' O ' ' HG3' ' B' ' 121' ' ' LYS . 26.0 mmt -68.25 -30.12 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' B' ' 114' ' ' ASN . 28.9 mm-40 -74.51 -42.64 58.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.789 177.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' B' ' 116' ' ' VAL . 7.2 mt -56.06 -48.22 76.46 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.357 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.67 -30.37 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.367 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' B' ' 117' ' ' MET . 88.6 mttt -60.81 -53.62 55.11 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.244 0.545 . . . . 0.0 110.242 174.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.535 ' HE1' ' HG ' ' A' ' 119' ' ' LEU . 36.3 ttp -58.55 -39.96 81.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.594 -176.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 79.7 mt -71.9 -5.91 38.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 111.246 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 32.4 t -120.71 14.74 11.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.116 0.484 . . . . 0.0 109.943 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -106.86 22.34 16.09 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.16 0.505 . . . . 0.0 111.411 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -86.06 128.39 34.86 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 12.1 p -55.54 96.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.191 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -109.05 27.57 9.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.752 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -59.89 110.57 1.21 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.863 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -83.0 87.38 6.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.521 0.677 . . . . 0.0 110.166 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 27.7 m -83.29 -31.69 8.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.148 -177.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 19.9 m -137.59 114.86 10.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.192 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 36.3 p . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.326 179.24 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 112.013 -0.435 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 p -148.43 99.67 3.05 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.158 0.504 . . . . 0.0 111.572 -178.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -100.84 166.0 19.08 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 174.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -132.45 125.85 31.67 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.925 0.393 . . . . 0.0 110.878 -178.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -158.79 169.62 23.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.38 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 43.5 mt-30 73.53 134.5 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.269 0 O-C-N 124.3 1.0 . . . . 0.0 112.588 176.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.47 ' HA ' ' CG ' ' A' ' 109' ' ' ASP . 15.9 Cg_exo -67.9 149.85 78.03 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.136 2.557 . . . . 0.0 112.158 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.2 pt -96.5 -0.17 10.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.339 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.453 ' CZ2' ' HA ' ' A' ' 67' ' ' ASN . 84.4 m95 -72.1 88.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.824 0.821 . . . . 0.0 111.748 -175.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.7 m -152.69 -44.85 0.1 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.418 176.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.443 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 92.2 m-20 -96.95 121.96 57.86 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.78 174.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 11' ' ' ASN . 17.7 Cg_exo -61.25 -43.84 26.72 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.812 2.341 . . . . 0.0 112.407 -176.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -68.81 -38.41 79.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -176.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.32 -43.93 97.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.414 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.32 82.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.65 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.41 ' HE2' HG12 ' A' ' 47' ' ' VAL . 44.4 ttm -61.68 -30.0 70.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.635 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.8 m -65.37 -35.84 82.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.159 177.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.878 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -65.76 -42.19 91.19 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 176.584 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -62.3 -43.78 98.03 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.831 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -62.33 -54.74 36.18 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.265 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -60.13 -35.16 74.65 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.983 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.564 HD11 HD12 ' A' ' 97' ' ' LEU . 16.0 tp -61.12 -48.01 83.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.713 -179.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.5 t -63.94 -39.94 87.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.642 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -66.38 -38.56 87.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.049 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.9 t -65.65 -40.98 93.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.116 0.484 . . . . 0.0 109.976 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.58 -38.86 87.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.152 0.501 . . . . 0.0 110.828 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.5 t -62.63 -40.15 96.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.31 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -83.58 -11.86 56.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.591 -175.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.9 p -79.37 -58.35 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.567 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.54 0.56 60.88 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.767 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.86 HG23 HD12 ' A' ' 32' ' ' LEU . 5.2 m -74.04 -27.11 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.979 0.419 . . . . 0.0 110.538 177.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.86 HD12 HG23 ' A' ' 31' ' ' VAL . 5.5 mp -93.21 148.45 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.368 177.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.2 p -84.29 168.78 15.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.967 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.18 -25.81 67.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.067 0.46 . . . . 0.0 110.342 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.48 -55.81 18.31 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.691 176.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.406 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 44.3 mt-30 -62.24 -43.89 97.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.49 177.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 82.5 mmm -62.87 -38.18 89.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.72 -178.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.469 ' OD2' ' HE1' ' B' ' 61' ' ' HIS . 19.7 t70 -67.18 -38.14 84.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.798 0.332 . . . . 0.0 110.576 -178.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -64.72 -40.25 95.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.989 0.423 . . . . 0.0 110.532 176.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.565 ' O ' ' HB3' ' A' ' 43' ' ' MET . 90.7 mtp -68.7 -27.02 65.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.165 0.507 . . . . 0.0 110.175 175.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.73 -46.65 93.23 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.65 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.594 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 10.8 ptt? -73.05 -18.46 61.32 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.307 178.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.565 ' HB3' ' O ' ' A' ' 40' ' ' MET . 59.3 ttp -58.63 -56.64 19.53 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 172.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.9 90.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.56 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.594 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 26.1 t70 -61.0 -43.12 99.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.987 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.1 p -65.57 -37.98 88.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.536 0.208 . . . . 0.0 110.969 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 43' ' ' MET . 14.3 t -70.0 -40.12 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.292 0.567 . . . . 0.0 109.493 175.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -57.93 -54.78 43.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.056 -0.974 . . . . 0.0 111.604 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 p -70.93 -32.92 69.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.871 -176.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -72.45 -28.28 62.83 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.348 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -58.18 -52.99 63.27 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.424 176.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -71.66 -18.83 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.056 0.455 . . . . 0.0 110.983 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -70.76 -17.86 62.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.776 172.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.592 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 75.6 mtm -107.26 -52.05 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.37 -149.26 20.09 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.249 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.4 140.39 43.9 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.834 2.356 . . . . 0.0 112.527 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 45.42 70.19 2.14 Favored Pre-proline 0 N--CA 1.464 0.229 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.308 -177.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.592 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 24.5 Cg_exo -65.2 158.03 54.39 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 123.042 2.495 . . . . 0.0 112.743 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.02 119.23 6.21 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.764 2.31 . . . . 0.0 111.629 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -53.41 -32.32 49.09 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -175.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.802 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 34.9 p80 -64.6 -27.88 69.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.2 0.524 . . . . 0.0 111.057 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.559 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 15.0 ttm180 -72.5 -27.63 62.39 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.97 -40.41 53.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.7 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.802 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 32.5 ptt180 -61.85 -37.26 83.81 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.107 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.764 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -76.53 -37.15 57.14 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.059 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.54 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 94.9 mmm -69.03 -23.4 64.07 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 121.173 -0.211 . . . . 0.0 111.028 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.453 ' HA ' ' CZ2' ' A' ' 9' ' ' TRP . 21.4 t30 -55.19 -55.12 34.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.157 0.503 . . . . 0.0 109.895 172.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.485 HG22 ' HB1' ' B' ' 72' ' ' ALA . 28.7 m -73.37 -30.7 63.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.11 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.54 ' HB3' ' HA ' ' A' ' 66' ' ' MET . . . -61.75 -59.67 4.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.925 177.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.1 ttt -55.32 -44.94 76.3 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.809 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.428 ' HB1' HG22 ' A' ' 116' ' ' VAL . . . -62.1 -44.14 97.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.439 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.447 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -68.7 -34.74 76.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.227 -178.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 48.4 mt-10 -62.86 -40.89 98.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.432 178.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 78' ' ' VAL . 79.6 t -70.19 -46.18 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.718 176.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.28 75.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.809 0.337 . . . . 0.0 110.886 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.605 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 26.6 tp10 -62.71 -48.91 77.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.513 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.82 -27.97 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.55 -177.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 74' ' ' VAL . 94.7 t -76.86 -35.28 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.882 0.372 . . . . 0.0 110.269 177.255 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.04 -40.75 52.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.132 -177.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.5 m -90.74 72.98 6.68 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.627 0.727 . . . . 0.0 109.957 176.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.5 p -134.11 171.13 9.61 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 114.856 -1.065 . . . . 0.0 108.831 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -58.33 133.61 56.1 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 121.545 1.496 . . . . 0.0 110.736 173.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.63 -11.07 28.93 Favored 'Trans proline' 0 C--N 1.34 0.079 0 C-N-CA 122.469 2.113 . . . . 0.0 112.162 -173.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -97.8 -3.77 38.24 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.597 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.8 t -128.72 -0.8 5.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.687 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -50.33 -58.87 4.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.555 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.3 m -60.65 -29.66 69.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.667 -176.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.1 -47.05 60.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.82 0.343 . . . . 0.0 110.197 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.53 -42.88 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.231 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.38 -52.97 63.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.554 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.5 -37.05 84.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.837 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.4 m -63.65 -55.12 25.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.68 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.461 ' HA ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -60.28 -44.76 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.886 178.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.06 -41.71 85.86 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.55 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.94 -42.77 76.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.781 0.324 . . . . 0.0 110.586 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 84.7 m -59.28 -39.64 83.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.413 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.878 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 6.4 mp -56.0 -44.29 78.48 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.655 0.264 . . . . 0.0 111.443 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.404 ' HG3' HG11 ' A' ' 108' ' ' VAL . 37.1 ttt-85 -60.84 -52.88 63.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.048 0.452 . . . . 0.0 110.788 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -63.15 -47.65 81.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.909 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.6 m -55.55 -37.85 68.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.536 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.2 mmt -63.26 -44.44 95.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.975 0.416 . . . . 0.0 110.699 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 17.2 ttm -68.99 -30.51 68.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.052 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -79.9 -26.13 40.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.968 0.413 . . . . 0.0 110.724 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.05 -60.85 1.97 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.271 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.7 p -103.19 -41.46 6.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.256 0.551 . . . . 0.0 111.078 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 115.22 -4.66 21.95 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -174.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.0 m -126.42 137.93 53.48 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.404 HG11 ' HG3' ' A' ' 98' ' ' ARG . 57.4 t -87.23 106.89 16.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.833 0.349 . . . . 0.0 110.268 179.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.47 ' CG ' ' HA ' ' A' ' 7' ' ' PRO . 8.5 t70 -76.58 124.34 27.47 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.937 173.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -90.81 -15.36 30.2 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.104 -177.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.06 -51.03 51.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.728 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -68.57 -48.59 63.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.218 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.752 ' HA ' HD23 ' A' ' 97' ' ' LEU . 17.8 m -55.94 -42.49 76.24 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.481 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -72.68 -37.14 67.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.71 0.29 . . . . 0.0 110.576 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.29 -46.84 87.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.644 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.534 HG21 HD21 ' A' ' 97' ' ' LEU . 57.3 t -61.88 -34.38 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.826 178.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 30.3 mmt -70.11 -45.19 67.44 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -178.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -63.54 -38.47 91.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.968 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 116' ' ' VAL . 32.4 mt -59.75 -50.15 74.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.991 178.139 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.1 p -73.74 -34.53 41.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.205 -175.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -71.6 -23.36 61.7 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.679 0.276 . . . . 0.0 110.569 177.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -80.13 -45.69 17.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.765 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 67.8 mt -69.9 -23.16 63.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.282 0.563 . . . . 0.0 110.964 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.7 m -98.06 16.54 20.82 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.884 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -89.7 32.88 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.498 0.666 . . . . 0.0 110.494 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -79.8 13.56 2.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.231 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.4 m -138.61 93.54 2.74 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.344 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -97.08 28.19 3.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.241 0.543 . . . . 0.0 110.538 -177.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -106.85 150.72 26.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.696 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 60.59 39.78 17.49 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.494 0.664 . . . . 0.0 111.163 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 31.4 m -112.76 10.08 8.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.853 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.0 m -106.5 147.8 28.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.646 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 27.6 m . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.123 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 111.792 -0.523 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -83.52 139.25 33.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.991 0.424 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.25 67.32 0.85 Allowed Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.776 178.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -68.48 131.11 44.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.169 0.509 . . . . 0.0 110.694 -178.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' B' ' 6' ' ' GLN . 14.3 m -129.25 152.15 49.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.064 -179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' B' ' 5' ' ' SER . 84.7 mm-40 69.21 151.23 0.13 Allowed Pre-proline 0 N--CA 1.465 0.297 0 O-C-N 123.837 0.71 . . . . 0.0 111.376 -177.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -60.84 143.95 99.47 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.485 2.123 . . . . 0.0 111.911 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -75.29 0.95 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.869 -177.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -75.71 67.64 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.272 0.558 . . . . 0.0 111.639 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 85.8 m -118.06 -43.02 2.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.568 172.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -103.87 122.71 43.56 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.248 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -61.59 -40.27 48.15 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.891 2.394 . . . . 0.0 111.934 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -63.2 -43.07 99.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.723 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.46 89.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.723 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.2 96.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.471 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.0 ttm -65.04 -30.07 71.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.769 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 38.9 m -63.68 -39.15 93.62 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' MET . . . . . 1.031 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -63.98 -47.0 82.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.546 176.334 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.422 ' O ' HG23 ' B' ' 23' ' ' VAL . 1.5 m -58.47 -43.75 89.04 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.038 178.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -69.28 -50.48 46.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.479 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -63.15 -31.99 73.27 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.795 0.331 . . . . 0.0 110.641 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.571 HD11 HD12 ' B' ' 97' ' ' LEU . 19.0 tp -60.16 -46.0 91.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.916 177.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 19' ' ' THR . 91.0 t -63.94 -41.51 92.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.743 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -62.01 -44.45 96.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.36 . . . . 0.0 110.784 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 33.7 t -66.12 -42.61 88.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.044 0.449 . . . . 0.0 110.552 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.72 -35.29 79.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.234 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 47.4 t -70.53 -17.58 62.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.318 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -111.09 13.53 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.717 0.294 . . . . 0.0 110.916 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.512 ' HB2' HG21 ' B' ' 92' ' ' THR . 91.1 p -73.42 -42.69 61.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.743 -174.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.12 12.59 83.87 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -171.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.539 ' HB ' HD12 ' B' ' 32' ' ' LEU . 4.9 t -111.23 -44.04 5.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.036 0.446 . . . . 0.0 110.274 -178.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.539 HD12 ' HB ' ' B' ' 31' ' ' VAL . 6.4 mp -88.36 151.19 22.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.085 -175.187 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 65.6 p -94.27 168.68 10.75 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.259 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.23 -27.72 69.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.098 0.475 . . . . 0.0 110.355 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -58.93 -59.25 5.76 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.745 175.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.511 ' HB3' ' HB ' ' B' ' 77' ' ' VAL . 37.6 mt-30 -63.18 -39.42 94.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.711 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 76.5 mmm -68.49 -35.54 77.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.968 -177.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -72.13 -28.79 63.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.977 0.418 . . . . 0.0 109.943 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.734 ' O ' ' HG2' ' B' ' 42' ' ' MET . 70.3 m-20 -67.57 -41.27 84.44 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.214 0.531 . . . . 0.0 110.552 171.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.569 ' O ' ' HB3' ' B' ' 43' ' ' MET . 85.4 mtp -71.61 -31.92 67.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.175 0.512 . . . . 0.0 110.732 177.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.19 -43.72 96.68 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.645 175.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.734 ' HG2' ' O ' ' B' ' 39' ' ' ASP . 16.8 ptt? -66.39 -28.18 68.44 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' MET . . . . . 0.569 ' HB3' ' O ' ' B' ' 40' ' ' MET . 54.6 ttp -57.42 -50.76 71.96 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.27 175.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.91 98.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.355 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -75.61 -31.71 60.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.933 -175.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.6 p -68.44 -41.04 80.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.691 0.281 . . . . 0.0 110.938 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 43' ' ' MET . 43.1 t -61.58 -41.33 89.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.469 0.652 . . . . 0.0 109.522 173.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -63.39 -48.76 76.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.268 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.541 ' HA ' ' HG2' ' B' ' 52' ' ' GLN . 11.1 p -67.42 -33.02 74.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.671 -176.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -62.65 -41.43 99.04 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 81.4 mmm -62.75 -45.75 91.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.648 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.541 ' HG2' ' HA ' ' B' ' 49' ' ' SER . 12.7 pt20 -72.46 -22.01 61.14 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.15 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -69.59 -42.97 73.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.498 172.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' MET . . . . . 0.459 ' SD ' ' HD2' ' B' ' 62' ' ' ARG . 69.5 mtm -79.21 -56.79 4.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.126 -178.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.56 -152.18 16.97 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.878 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.31 130.64 17.75 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.612 2.208 . . . . 0.0 112.256 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 63.78 88.68 0.11 Allowed Pre-proline 0 N--CA 1.466 0.355 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.805 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -87.44 162.28 8.17 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.87 2.38 . . . . 0.0 112.584 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.525 ' HG2' ' HB2' ' B' ' 62' ' ' ARG . 36.9 Cg_endo -66.66 148.39 83.06 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.823 2.349 . . . . 0.0 111.728 178.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -69.8 -34.83 74.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.982 0.42 . . . . 0.0 111.204 -174.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.73 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 19.6 p80 -65.07 -19.89 66.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.999 0.428 . . . . 0.0 111.213 178.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.54 ' O ' ' HG2' ' B' ' 66' ' ' MET . 0.1 OUTLIER -63.9 -45.65 88.37 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 175.153 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.9 -41.46 95.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.96 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.73 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 30.5 ptt180 -59.22 -36.61 75.73 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.724 0.297 . . . . 0.0 110.631 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.605 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -82.14 -40.17 22.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.507 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.54 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 93.8 mmm -62.15 -32.84 73.49 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.579 0.228 . . . . 0.0 111.069 -179.152 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -53.0 -54.46 34.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.645 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.447 HG22 ' HB1' ' A' ' 72' ' ' ALA . 4.5 m -69.03 -34.69 75.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.213 -177.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -62.86 -56.51 16.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.941 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 21.7 ttt -54.96 -46.02 75.0 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.874 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.77 -42.86 94.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.507 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.485 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -66.7 -35.21 79.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.246 -178.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 45.6 mt-10 -62.99 -41.28 99.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.31 . . . . 0.0 110.673 178.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.479 ' O ' HG23 ' B' ' 78' ' ' VAL . 73.7 t -68.86 -44.83 81.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.598 176.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.74 -36.97 75.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.806 0.336 . . . . 0.0 110.836 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.764 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 31.0 tp10 -59.9 -49.58 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.333 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.511 ' HB ' ' HB3' ' B' ' 36' ' ' GLN . 34.0 m -72.55 -25.14 22.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -175.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 74' ' ' VAL . 64.3 t -79.64 -34.94 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.069 0.462 . . . . 0.0 110.252 177.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.64 -46.01 20.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.173 -176.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 30.6 m -83.95 77.2 9.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.738 0.78 . . . . 0.0 109.95 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.0 p -147.67 173.02 4.53 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.689 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.69 133.09 43.34 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.561 1.507 . . . . 0.0 110.503 172.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.37 -12.99 37.96 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.436 2.091 . . . . 0.0 111.734 -174.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -86.14 -13.96 45.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.512 178.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' SER . . . . . 0.426 ' O ' HG23 ' B' ' 89' ' ' VAL . 74.8 m -122.7 5.53 9.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.82 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -54.97 -59.39 4.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.161 0.505 . . . . 0.0 110.771 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 68.6 m -63.9 -25.43 68.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.119 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.88 -52.43 29.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.79 0.329 . . . . 0.0 110.229 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.499 HG22 HG12 ' B' ' 31' ' ' VAL . 59.0 t -61.79 -44.41 98.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.024 177.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.19 -52.25 66.09 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.875 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -61.74 -40.0 93.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.832 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.512 HG21 ' HB2' ' B' ' 29' ' ' SER . 60.8 m -64.34 -52.09 60.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.471 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -59.64 -47.61 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.783 178.493 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.61 -42.52 84.74 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.447 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.34 -44.99 74.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.645 0.26 . . . . 0.0 111.0 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 93.1 m -60.78 -36.35 78.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.181 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 1.031 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 3.5 mp -57.14 -50.55 72.45 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.031 0.443 . . . . 0.0 110.984 176.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 98' ' ' ARG . 40.3 ttt180 -56.56 -44.69 81.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.288 -177.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -76.01 -37.99 57.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.303 -176.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 59.5 m -59.52 -39.5 84.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.572 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 10.8 mmt -63.52 -43.91 95.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 39.9 ttm -67.89 -30.94 70.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.206 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -80.03 -21.21 43.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.879 0.371 . . . . 0.0 110.969 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.67 -49.31 6.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.261 -178.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 66.5 p -107.37 -53.43 2.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.141 0.496 . . . . 0.0 111.106 -178.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 137.0 -10.73 3.9 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.436 -176.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 48.7 m -137.83 176.61 8.55 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 59.4 t -98.71 112.85 31.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.862 0.363 . . . . 0.0 111.531 -176.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -77.94 115.08 17.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.554 173.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.89 -19.39 25.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.7 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.71 -50.86 65.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.881 0.372 . . . . 0.0 110.717 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -71.1 -47.11 60.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.351 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.616 ' HA ' HD23 ' B' ' 97' ' ' LEU . 18.8 m -57.38 -41.48 80.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.832 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -70.81 -38.77 73.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.356 . . . . 0.0 110.325 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -56.67 -45.62 81.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.594 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.489 HG21 HD21 ' B' ' 97' ' ' LEU . 60.4 t -62.61 -36.58 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 117' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' B' ' 113' ' ' THR . 26.5 mmt -66.03 -46.33 78.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.067 0.46 . . . . 0.0 109.799 -178.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -64.93 -40.13 94.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.561 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.51 -50.24 73.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.394 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 12.8 p -68.84 -32.97 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.284 -175.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' B' ' 117' ' ' MET . 28.5 mtpp -70.39 -39.46 74.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 110.718 178.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.406 ' HE3' ' HB3' ' B' ' 122' ' ' MET . 11.9 tmm? -70.62 -33.35 70.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.649 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.82 -10.54 59.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.654 0.74 . . . . 0.0 109.623 177.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 49.6 m -116.31 27.91 8.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.861 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.4 ' C ' ' H ' ' B' ' 127' ' ' SER . . . -84.82 50.31 1.89 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.26 -172.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -87.41 18.44 3.83 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 169.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 127' ' ' SER . . . . . 0.4 ' H ' ' C ' ' B' ' 125' ' ' ALA . 5.6 m -77.47 76.72 4.01 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.782 -173.001 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -98.96 15.08 26.83 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 171.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -63.13 157.79 21.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.365 -1.289 . . . . 0.0 110.887 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.32 98.85 0.36 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.524 -175.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 27.6 m -102.56 5.93 10.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.887 172.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.31 145.09 56.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.386 -1.279 . . . . 0.0 112.271 -176.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 9.7 m . . . . . 0 C--O 1.248 1.012 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.999 177.188 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.993 0 N-CA-C 111.925 -0.47 . . . . 0.0 111.925 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 m -67.63 132.34 47.33 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 178.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.26 -40.09 2.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.865 -178.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -62.71 -36.1 81.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.301 0.572 . . . . 0.0 110.098 178.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -155.89 174.83 14.75 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 174.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -123.81 99.0 39.02 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.109 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.03 169.73 21.52 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.521 2.148 . . . . 0.0 111.283 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.3 pt -82.47 14.91 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.057 0.456 . . . . 0.0 111.481 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.402 ' CZ2' ' HA ' ' A' ' 67' ' ' ASN . 47.4 m95 -85.93 31.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.366 -177.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.1 p -73.03 -39.12 66.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.387 0.613 . . . . 0.0 109.588 174.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -122.54 137.51 27.91 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.58 174.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.776 ' HG3' ' HG3' ' A' ' 58' ' ' PRO . 31.4 Cg_endo -65.69 -33.38 44.87 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.66 2.24 . . . . 0.0 112.401 -175.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -74.41 -34.42 63.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.576 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.59 -46.33 86.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.226 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.81 -39.33 80.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.781 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.2 ttm -61.0 -29.98 70.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.613 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.0 m -63.14 -40.66 98.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.198 176.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.974 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -63.76 -41.89 97.9 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.234 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -60.87 -44.46 97.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.859 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -68.66 -50.37 51.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.635 -178.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -58.55 -35.53 72.48 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.778 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.537 HD11 HD12 ' A' ' 97' ' ' LEU . 15.1 tp -58.24 -44.85 88.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.433 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.97 -43.3 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.995 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -62.43 -40.81 97.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.265 0.555 . . . . 0.0 110.311 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.569 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -68.51 -35.62 77.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.325 179.62 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.64 -34.62 74.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.255 0.55 . . . . 0.0 110.898 174.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.9 t -70.8 -36.04 72.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.071 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.569 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 16.0 ptm180 -85.08 -1.13 56.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.342 -178.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 p -99.23 -47.0 5.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.023 0.44 . . . . 0.0 109.828 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.78 16.96 71.56 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.143 173.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.484 HG21 ' OG1' ' A' ' 92' ' ' THR . 20.7 t -76.8 -28.0 17.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.397 0.617 . . . . 0.0 110.323 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.461 ' HB3' ' HB2' ' A' ' 36' ' ' GLN . 5.5 mp -90.8 155.99 18.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.078 -174.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.3 p -92.5 178.18 5.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.705 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 -41.83 92.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.077 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.598 ' HB3' HH22 ' B' ' 64' ' ' ARG . 6.3 m-20 -57.32 -51.81 67.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.056 0.455 . . . . 0.0 110.55 177.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.461 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 66.1 mt-30 -65.3 -42.66 92.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.188 -175.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 91.5 mmm -67.45 -37.07 82.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -71.57 -27.14 62.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.21 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.23 -48.87 63.99 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.197 173.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.0 mtp -64.28 -35.28 80.32 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.995 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.19 -42.96 99.73 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.552 175.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.9 tmm? -64.77 -36.41 84.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.607 0.241 . . . . 0.0 110.463 177.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.415 ' O ' HG23 ' A' ' 47' ' ' VAL . 49.8 ttp -55.82 -46.73 78.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.748 177.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.38 93.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.775 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.9 -37.87 87.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.412 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.4 t -56.2 -48.25 76.78 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.512 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 43' ' ' MET . 17.7 t -61.88 -37.81 79.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.097 0.475 . . . . 0.0 110.475 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -70.06 -32.76 71.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.568 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.467 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 67.1 m -59.21 -39.91 84.13 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -170.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.461 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 26.6 mt-30 -87.52 -17.22 32.57 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.749 -178.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 87.2 mmm -76.85 -35.48 57.46 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.092 172.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -78.79 -16.85 56.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.88 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 49' ' ' SER . 57.2 mttm -60.09 -37.09 78.91 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.761 0.791 . . . . 0.0 110.001 169.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.636 ' HE3' HH11 ' A' ' 62' ' ' ARG . 22.5 ptp -116.5 -165.27 1.04 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.153 -168.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -136.19 -95.88 0.46 Allowed Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.867 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -85.6 125.95 2.95 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 123.133 2.555 . . . . 0.0 113.576 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 67.66 97.5 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.431 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.294 172.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.776 ' HG3' ' HG3' ' A' ' 12' ' ' PRO . 93.4 Cg_endo -80.45 160.95 22.55 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.5 2.133 . . . . 0.0 112.426 176.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.449 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 21.8 Cg_endo -63.16 122.64 10.93 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.816 2.344 . . . . 0.0 111.505 174.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -64.34 -35.54 81.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.298 0.571 . . . . 0.0 110.577 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.651 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 21.3 p80 -65.49 -25.54 67.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.373 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.636 HH11 ' HE3' ' A' ' 54' ' ' MET . 26.5 ttp180 -70.19 -33.62 71.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.172 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.45 -46.32 80.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.533 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 18.8 ptt180 -62.84 -35.68 80.75 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.713 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.738 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -74.49 -43.24 56.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.592 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.432 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 80.3 mtp -76.61 -14.52 59.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.128 -177.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.402 ' HA ' ' CZ2' ' A' ' 9' ' ' TRP . 55.3 t-20 -53.98 -63.37 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.851 175.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.512 HG21 HD11 ' B' ' 123' ' ' LEU . 84.2 m -66.66 -25.42 66.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.139 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -62.06 -49.72 74.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.596 0.236 . . . . 0.0 110.744 177.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.2 ttt -58.61 -46.01 87.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.358 177.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.411 ' HB2' ' CE1' ' A' ' 112' ' ' PHE . . . -62.82 -43.59 98.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.475 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.548 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -62.86 -41.1 99.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.34 -178.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 77' ' ' VAL . 44.7 mt-10 -62.74 -42.44 99.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.222 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.35 -47.62 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.89 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.45 89.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.702 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.78 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 35.7 tp10 -58.25 -49.48 76.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.308 176.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 73' ' ' GLU . 94.3 t -55.04 -47.82 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.028 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.3 t -67.38 -41.59 86.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.295 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.65 -14.81 61.23 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.468 HG21 ' HD2' ' B' ' 64' ' ' ARG . 3.0 m -106.06 19.22 20.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.343 0.592 . . . . 0.0 110.695 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.6 p -84.87 169.17 17.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . 26.1 Cg_exo -63.07 139.09 71.14 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.821 1.68 . . . . 0.0 110.51 176.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 82' ' ' PRO . 21.6 Cg_exo -55.32 -32.04 79.51 Favored 'Trans proline' 0 CA--C 1.519 -0.266 0 C-N-CA 122.561 2.174 . . . . 0.0 111.793 -174.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -81.87 -4.8 57.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.561 -176.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.6 m -128.42 0.93 5.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.936 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -57.61 -47.28 82.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.851 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.2 t -63.17 -34.74 78.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.711 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.33 -51.3 31.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.727 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.86 -43.31 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.38 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.16 -51.51 69.05 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.085 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -57.53 -40.24 78.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.065 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.484 ' OG1' HG21 ' A' ' 31' ' ' VAL . 44.4 m -65.71 -50.85 63.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.351 -177.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.1 mm -64.94 -46.68 90.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.01 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.31 -43.25 89.65 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.545 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.4 -12.66 58.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.943 0.401 . . . . 0.0 111.088 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.498 ' SG ' HD12 ' A' ' 22' ' ' LEU . 50.7 t -84.5 -36.44 22.22 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.601 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.974 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 7.7 mp -59.54 -39.79 85.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.859 0.361 . . . . 0.0 111.092 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.418 ' HA ' HG23 ' A' ' 108' ' ' VAL . 51.2 ttt180 -57.99 -45.44 86.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.477 176.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -69.83 -50.17 45.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.057 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.1 m -54.39 -40.74 68.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.586 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.51 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 13.2 mmt -64.41 -43.25 94.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.921 0.391 . . . . 0.0 111.027 177.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 17.4 ttm -70.32 -26.22 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.422 -177.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -84.89 -31.74 23.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.925 0.393 . . . . 0.0 110.871 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.13 -60.21 2.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.378 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 73.1 p -103.31 -33.62 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.976 0.417 . . . . 0.0 111.316 -175.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 114.64 -10.85 21.38 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -176.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.1 m -132.47 149.12 52.39 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.51 ' HA ' ' HB3' ' A' ' 101' ' ' MET . 4.2 p -96.95 114.7 34.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.277 0.56 . . . . 0.0 110.948 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -78.3 134.56 37.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.965 173.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -97.1 -14.95 21.22 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.369 -177.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.3 -53.34 37.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.76 0.314 . . . . 0.0 110.46 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 71' ' ' ALA . 74.1 t80 -68.37 -47.93 66.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.263 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.582 ' HA ' HD23 ' A' ' 97' ' ' LEU . 17.9 m -56.42 -37.95 70.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.162 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 63.8 t30 -77.56 -34.06 53.87 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.426 178.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -56.98 -47.85 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.951 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.571 ' HA ' HD12 ' A' ' 119' ' ' LEU . 15.0 m -64.19 -30.54 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.715 0.293 . . . . 0.0 110.978 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.436 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 27.7 mmt -70.81 -40.97 72.19 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -178.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 25.0 mm-40 -68.02 -42.16 81.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.816 177.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 116' ' ' VAL . 19.2 mt -57.39 -51.65 68.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.336 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.82 -28.65 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.3 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 125' ' ' ALA . 98.0 mttt -76.57 -13.94 60.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.064 0.459 . . . . 0.0 110.569 176.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 47.6 ttp -93.59 -44.61 8.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.417 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.49 -33.12 72.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.484 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.8 t -98.53 17.67 18.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.057 -175.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 121' ' ' LYS . . . -89.53 30.04 1.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -172.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -78.57 117.71 20.0 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.817 176.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.6 m -83.99 84.17 7.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.078 0.466 . . . . 0.0 110.56 -178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.31 29.91 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.68 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -80.2 103.01 9.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.222 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -107.06 99.42 8.98 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.5 m -81.06 -11.93 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.919 0.39 . . . . 0.0 110.921 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.8 p -128.59 141.01 51.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.519 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 120.851 0.358 . . . . 0.0 110.676 178.967 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -151.05 118.25 5.95 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 127.09 -60.32 0.66 Allowed Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -175.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -82.22 -9.91 59.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.345 0.593 . . . . 0.0 109.82 174.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 34.8 m -141.5 156.79 45.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.15 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -116.96 90.48 32.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 123.172 0.295 . . . . 0.0 111.188 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -91.88 -177.06 0.87 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.679 2.253 . . . . 0.0 111.814 175.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 pt -89.36 3.31 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.961 0.41 . . . . 0.0 110.872 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -80.07 54.63 1.96 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.233 0.539 . . . . 0.0 111.638 -175.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.6 p -107.36 -17.83 14.03 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.493 0.663 . . . . 0.0 109.863 174.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.457 ' HA ' ' HD3' ' B' ' 12' ' ' PRO . 46.9 m-80 -135.93 132.07 19.22 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.99 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' PRO . . . . . 0.715 ' HG3' HH22 ' B' ' 62' ' ' ARG . 20.3 Cg_exo -61.12 -46.45 15.55 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.78 2.32 . . . . 0.0 112.409 -176.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -68.97 -40.15 79.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.707 -175.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -45.91 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.922 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.33 84.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' MET . . . . . 0.486 ' HE2' HG12 ' B' ' 47' ' ' VAL . 47.9 ttm -64.17 -25.98 68.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.784 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 46.1 m -65.42 -34.76 79.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.034 0.445 . . . . 0.0 110.197 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' MET . . . . . 0.992 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -65.77 -43.79 87.76 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 176.666 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -41.49 92.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.727 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -65.33 -51.74 58.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.529 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.21 -31.28 70.01 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.092 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.561 HD11 HD12 ' B' ' 97' ' ' LEU . 12.1 tp -63.94 -45.95 86.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.969 0.414 . . . . 0.0 110.54 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 66.1 t -64.7 -38.87 83.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.702 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -61.18 -41.31 96.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.796 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -50.21 74.9 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.944 0.402 . . . . 0.0 110.915 174.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.474 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -62.36 -38.99 91.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.344 -176.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 37.1 t -68.58 -40.6 80.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.032 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -76.25 -29.86 57.67 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.147 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 36.2 p -73.78 -51.91 14.87 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.884 0.373 . . . . 0.0 110.53 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.38 14.21 81.76 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.388 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.0 p -83.22 -12.49 12.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.517 0.675 . . . . 0.0 110.102 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.489 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.6 mp -97.18 152.21 19.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.492 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 42.9 p -86.18 175.59 8.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.216 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.54 83.56 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.808 0.337 . . . . 0.0 110.391 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.515 ' HB3' HH22 ' A' ' 64' ' ' ARG . 2.3 m-20 -51.44 -61.89 1.96 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.633 0.73 . . . . 0.0 110.222 172.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.489 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 68.5 mt-30 -62.42 -39.67 94.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.753 -172.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 77.7 mmm -65.64 -40.98 93.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.477 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -75.84 -30.37 58.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.443 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.3 -47.13 80.64 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.921 0.391 . . . . 0.0 110.388 174.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.438 ' O ' ' HB3' ' B' ' 43' ' ' MET . 89.4 mtp -67.96 -36.05 79.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 179.207 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.96 -43.17 97.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.353 175.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 9.5 tmm? -59.88 -42.89 94.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.742 0.306 . . . . 0.0 110.267 175.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' MET . . . . . 0.461 ' O ' HG23 ' B' ' 47' ' ' VAL . 47.8 ttp -50.69 -47.42 58.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.113 177.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.22 88.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.389 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -70.19 -34.1 72.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.044 0.449 . . . . 0.0 110.715 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -61.85 -48.79 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.223 175.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.486 HG12 ' HE2' ' B' ' 16' ' ' MET . 75.7 t -58.5 -36.4 59.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.584 178.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.478 ' O ' ' HG2' ' B' ' 51' ' ' MET . 9.1 m-80 -63.19 -40.91 98.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.533 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.413 ' HA ' ' HG2' ' B' ' 52' ' ' GLN . 72.2 m -59.97 -36.14 76.48 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.869 177.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -88.09 27.0 1.26 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.59 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' B' ' 48' ' ' ASN . 8.8 ptm -129.42 -32.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 167.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' B' ' 48' ' ' ASN . 11.5 pt20 -79.45 -24.97 42.07 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.005 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -68.48 -19.27 64.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.11 175.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' MET . . . . . 0.511 ' SD ' ' HD2' ' B' ' 59' ' ' PRO . 66.5 mtm -122.65 -176.7 3.45 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.864 -177.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.17 -129.91 3.36 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.129 -1.034 . . . . 0.0 113.323 -175.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -85.15 12.06 3.19 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 123.302 2.668 . . . . 0.0 113.531 -172.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -156.34 80.67 3.74 Favored Pre-proline 0 C--N 1.316 -0.848 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.044 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -90.2 154.45 4.67 Favored 'Trans proline' 0 N--CA 1.449 -1.096 0 C-N-CA 122.926 2.417 . . . . 0.0 112.627 174.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.511 ' HD2' ' SD ' ' B' ' 54' ' ' MET . 28.1 Cg_endo -63.1 138.26 66.28 Favored 'Trans proline' 0 C--O 1.238 0.507 0 C-N-CA 123.408 2.739 . . . . 0.0 112.933 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -76.21 -37.33 57.92 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.704 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.846 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 25.2 p80 -60.73 -31.62 70.92 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 121.436 0.636 . . . . 0.0 109.819 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.715 HH22 ' HG3' ' B' ' 12' ' ' PRO . 2.5 ttp180 -59.95 -37.53 79.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.112 176.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.3 mt -68.58 -39.4 80.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.888 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.846 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 32.8 ptt180 -62.93 -33.71 75.92 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.179 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ALA . . . . . 0.78 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -80.33 -36.4 34.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.863 0.363 . . . . 0.0 111.231 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.514 ' HG3' ' O ' ' B' ' 62' ' ' ARG . 84.6 mtp -70.04 -22.86 63.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.677 178.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -52.53 -54.75 28.46 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.363 172.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.548 HG22 ' HB1' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -66.71 -34.61 78.22 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.886 -179.4 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -62.35 -53.96 47.34 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.438 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 21.6 ttt -59.81 -44.27 94.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.017 0.437 . . . . 0.0 110.512 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.77 -46.15 83.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.498 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.54 -38.43 89.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.406 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.549 ' O ' HG23 ' B' ' 77' ' ' VAL . 42.6 mt-10 -62.44 -46.62 87.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.6 179.017 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.41 ' O ' ' HB ' ' B' ' 77' ' ' VAL . 38.8 t -59.72 -45.42 94.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.831 0.348 . . . . 0.0 110.993 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.38 99.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.591 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.738 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 13.0 tp10 -59.58 -39.71 85.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.887 175.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.549 HG23 ' O ' ' B' ' 73' ' ' GLU . 42.9 t -60.09 -48.41 88.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.875 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.525 HG11 HD12 ' B' ' 90' ' ' LEU . 22.5 t -71.94 -33.92 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 -177.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.38 5.89 16.12 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' THR . . . . . 0.417 ' O ' HG22 ' B' ' 80' ' ' THR . 14.9 m -113.44 15.66 19.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.848 0.832 . . . . 0.0 109.779 176.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 87.8 p -92.5 158.53 38.39 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.735 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.23 150.7 87.86 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.23 1.953 . . . . 0.0 111.078 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -55.48 -35.94 93.24 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.615 2.21 . . . . 0.0 111.481 -176.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -74.98 -11.78 60.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.032 -0.986 . . . . 0.0 111.996 -177.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 14.6 m -117.79 -9.89 10.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.7 0.286 . . . . 0.0 110.923 -177.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -54.13 -50.18 67.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.617 -175.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 35.4 t -61.69 -44.35 97.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.817 0.342 . . . . 0.0 110.9 -177.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.66 75.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.166 -178.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 73.9 t -64.72 -45.25 95.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.633 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.755 HD11 HG11 ' B' ' 120' ' ' VAL . 13.5 tp -58.3 -49.81 75.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.687 -178.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -60.3 -38.77 84.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.027 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 55.6 m -66.73 -50.75 61.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.776 -177.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.1 mm -62.07 -49.11 85.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.753 178.117 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.24 -42.51 88.46 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.695 -177.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.44 -38.68 68.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.838 0.351 . . . . 0.0 111.04 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 22.8 m -70.03 -27.89 65.04 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.992 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 4.7 mp -59.36 -37.13 77.1 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.464 176.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 98' ' ' ARG . . . . . 0.493 ' HA ' HG23 ' B' ' 108' ' ' VAL . 73.1 ttt-85 -63.89 -48.39 76.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.176 176.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -67.35 -49.66 63.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.196 -177.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 66.8 m -54.07 -42.81 69.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.247 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.507 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 13.7 mmt -62.77 -45.98 90.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.037 0.446 . . . . 0.0 110.77 177.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 31.6 ttm -70.33 -23.6 62.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.472 -176.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -91.1 -8.93 47.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.939 0.4 . . . . 0.0 110.85 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.37 -55.9 2.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.339 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 70.0 p -105.5 -8.75 17.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.125 0.488 . . . . 0.0 110.892 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.17 5.03 86.09 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.577 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 12.5 p -149.11 144.27 26.54 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.507 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 2.5 p -89.81 114.11 27.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.053 0.454 . . . . 0.0 110.997 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.89 133.08 43.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.765 172.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -92.59 -22.22 19.62 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.798 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.81 -50.29 67.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.698 0.285 . . . . 0.0 110.764 -177.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -71.71 -46.53 58.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.531 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.584 ' HA ' HD23 ' B' ' 97' ' ' LEU . 13.8 m -59.39 -39.39 83.23 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.823 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -72.27 -39.33 68.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.763 0.316 . . . . 0.0 110.477 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.426 ' OE1' ' HA ' ' B' ' 68' ' ' THR . 34.0 tt0 -54.05 -51.37 64.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.407 -175.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.511 ' HA ' HD12 ' B' ' 119' ' ' LEU . 17.6 m -64.67 -31.33 53.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 111.48 0.178 . . . . 0.0 111.48 -176.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 117' ' ' MET . . . . . 0.596 ' HA ' ' HE2' ' B' ' 117' ' ' MET . 28.2 mmt -71.43 -29.24 64.66 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.935 0.398 . . . . 0.0 110.287 -177.246 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -83.15 -41.07 18.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.838 175.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' B' ' 116' ' ' VAL . 22.5 mt -55.23 -53.9 50.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.345 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 120' ' ' VAL . . . . . 0.755 HG11 HD11 ' B' ' 90' ' ' LEU . 12.3 p -63.74 -40.71 90.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.831 -172.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.99 -33.84 70.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.846 0.355 . . . . 0.0 110.608 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 40.5 ttp -66.02 -37.59 86.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.016 175.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.512 HD11 HG21 ' A' ' 68' ' ' THR . 88.0 mt -82.45 3.16 29.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.763 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 46.3 m -120.94 15.35 11.65 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.171 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -84.79 20.93 1.67 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.405 0.621 . . . . 0.0 111.542 -174.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -111.82 102.22 10.5 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.602 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 18.1 m -116.79 157.49 25.47 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.86 35.83 1.04 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.697 0.284 . . . . 0.0 110.937 -174.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -61.05 97.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.242 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -117.61 118.19 31.44 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 30.4 m -87.69 -20.21 7.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.47 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 15.7 m -134.15 137.21 44.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.022 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.133 -0.937 . . . . 0.0 109.222 175.928 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.674 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -91.71 115.97 28.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.889 0.376 . . . . 0.0 110.365 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.21 77.55 1.35 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.558 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -172.13 -56.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.052 0.453 . . . . 0.0 110.191 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -104.76 147.11 28.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.446 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -120.07 82.12 29.01 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 173.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -91.92 113.15 0.33 Allowed 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 123.207 2.605 . . . . 0.0 112.642 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.977 ' HB ' HG21 ' A' ' 105' ' ' THR . 2.6 pp -80.39 -10.17 12.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.476 ' CZ2' ' HA ' ' A' ' 67' ' ' ASN . 76.1 m95 -81.32 26.21 0.46 Allowed 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.54 -178.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -82.18 -8.99 59.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.427 0.632 . . . . 0.0 109.757 175.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -134.27 119.6 14.45 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.867 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -68.91 -35.09 16.13 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.863 2.375 . . . . 0.0 112.883 -173.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -79.57 -31.92 41.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.99 0.424 . . . . 0.0 110.375 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.8 81.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.108 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.38 90.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.593 177.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.407 ' HE2' ' HB2' ' A' ' 16' ' ' MET . 50.1 ttm -61.16 -32.1 71.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.661 177.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.7 m -64.82 -35.93 82.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.348 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.465 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 0.1 OUTLIER -66.01 -42.03 90.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 177.611 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.24 -42.8 99.64 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.499 177.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -65.82 -44.01 86.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.286 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -63.59 -36.09 82.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.378 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.646 HD21 HD12 ' A' ' 97' ' ' LEU . 32.6 mt -59.92 -44.56 94.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.726 0.298 . . . . 0.0 111.036 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.5 t -65.55 -36.6 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.96 0.41 . . . . 0.0 110.498 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.421 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 43.1 mt-30 -65.21 -52.62 53.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.762 177.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.535 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 31.6 p -66.92 -34.31 77.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.637 0.256 . . . . 0.0 111.081 -176.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.83 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.916 0.388 . . . . 0.0 111.141 177.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.8 t -69.09 -26.0 64.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.18 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.535 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 13.0 ptm85 -96.85 -2.31 44.27 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.613 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.5 p -97.48 -45.81 6.29 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.45 28.69 65.22 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.745 -0.662 . . . . 0.0 112.987 174.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.7 t -87.14 -26.71 5.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.742 0.782 . . . . 0.0 109.323 175.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HG ' HG13 ' A' ' 89' ' ' VAL . 5.3 mp -86.62 156.48 20.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.268 -177.081 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.9 p -91.11 174.46 7.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.646 -178.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.65 91.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.703 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.79 -50.26 72.86 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.401 0.62 . . . . 0.0 109.819 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.446 ' CB ' HG13 ' A' ' 77' ' ' VAL . 50.1 mt-30 -63.79 -44.29 93.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.611 -177.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 82.1 mmm -64.07 -41.66 97.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.589 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.514 ' OD2' ' HD3' ' B' ' 62' ' ' ARG . 35.5 t70 -68.32 -34.4 76.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 110.763 -178.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -64.26 -48.5 75.51 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.025 0.44 . . . . 0.0 110.231 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.52 ' HG3' HG21 ' A' ' 77' ' ' VAL . 89.1 mtp -65.44 -29.77 70.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.667 177.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.06 -48.57 85.41 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.99 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -73.35 -20.13 60.84 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.114 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.444 ' SD ' HG23 ' A' ' 74' ' ' VAL . 47.1 ttp -61.85 -50.72 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.952 0.406 . . . . 0.0 110.132 175.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.51 94.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.425 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.9 -32.15 72.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.504 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.7 t -60.84 -47.47 86.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.453 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 43' ' ' MET . 14.7 t -61.97 -36.06 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.983 0.42 . . . . 0.0 110.192 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.689 ' O ' ' HG3' ' A' ' 51' ' ' MET . 24.6 m-80 -75.64 -41.27 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.08 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 11.4 p -70.32 -49.5 48.8 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.963 -0.46 . . . . 0.0 111.193 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -63.35 -32.25 73.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.306 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.689 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 4.4 ppp? -67.86 -36.63 80.63 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.179 179.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.626 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 44.3 mt-30 -75.04 -23.68 58.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 110.506 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 49' ' ' SER . 13.5 mmmm -68.65 -24.54 64.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.793 174.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 66.1 mtm -108.12 -41.65 4.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.61 -173.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.96 172.8 12.87 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.27 -19.71 56.05 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.486 2.124 . . . . 0.0 112.435 -178.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -132.96 75.42 72.28 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.814 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.82 158.45 46.75 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.733 2.288 . . . . 0.0 112.942 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.742 ' HG2' ' HG2' ' A' ' 62' ' ' ARG . 19.9 Cg_endo -63.9 153.32 76.44 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.848 2.365 . . . . 0.0 111.97 176.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -55.0 -44.57 74.62 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -172.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.464 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 12.9 p80 -66.8 -18.37 65.34 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.871 -173.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.742 ' HG2' ' HG2' ' A' ' 59' ' ' PRO . 34.9 mmt180 -65.98 -47.15 75.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.4 mt -65.76 -31.7 72.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.989 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.73 HH11 ' HG2' ' A' ' 64' ' ' ARG . 26.7 ttp85 -54.08 -52.07 62.12 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.956 175.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.674 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -76.87 -32.43 57.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.631 -178.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 85.3 mmm -60.64 -32.31 71.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.663 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.476 ' HA ' ' CZ2' ' A' ' 9' ' ' TRP . 19.0 t-20 -52.49 -55.32 22.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.095 0.474 . . . . 0.0 110.744 176.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.468 HG22 ' HB1' ' B' ' 72' ' ' ALA . 26.4 m -76.1 -28.42 57.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.013 -176.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.557 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.22 -55.43 32.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.825 0.345 . . . . 0.0 110.626 177.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.8 ttt -60.6 -43.03 97.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.609 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.95 95.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.298 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.453 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -65.04 -40.06 94.26 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.278 -178.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 42.6 mt-10 -60.88 -48.15 83.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.98 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.444 HG23 ' SD ' ' A' ' 43' ' ' MET . 53.5 t -61.27 -43.57 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.968 0.413 . . . . 0.0 110.792 177.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.82 -42.41 97.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.501 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.42 -39.63 93.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.005 0.431 . . . . 0.0 110.008 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.52 HG21 ' HG3' ' A' ' 40' ' ' MET . 28.9 t -56.23 -55.19 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.91 176.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.442 ' HB ' HG21 ' A' ' 120' ' ' VAL . 52.5 t -67.27 -38.56 81.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.61 -177.019 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.81 -26.74 65.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -176.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.4 m -98.08 28.54 3.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.846 0.832 . . . . 0.0 110.964 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 87.4 p -97.2 161.38 26.35 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 170.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.16 135.51 70.34 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 121.633 1.556 . . . . 0.0 110.478 174.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -62.65 -13.53 34.45 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.629 2.22 . . . . 0.0 112.229 -172.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -84.25 -18.23 37.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.856 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 t -119.34 -1.1 10.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.072 0.463 . . . . 0.0 110.254 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -51.93 -56.34 14.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.29 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m -60.54 -27.38 67.6 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.834 -176.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.23 -48.91 25.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.981 0.42 . . . . 0.0 110.459 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.495 HG13 ' HG ' ' A' ' 32' ' ' LEU . 60.7 t -64.16 -42.42 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.055 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 tt -56.02 -52.38 64.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.472 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -58.73 -42.1 87.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.3 m -61.41 -46.25 90.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.612 -177.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.2 mm -68.91 -45.12 81.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.779 177.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.53 -41.89 98.9 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.522 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.03 -39.99 83.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.806 0.336 . . . . 0.0 110.54 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.431 ' SG ' HD23 ' A' ' 22' ' ' LEU . 49.2 t -68.69 -36.58 78.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.122 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.646 HD12 HD21 ' A' ' 22' ' ' LEU . 1.1 mp -50.54 -56.75 10.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.679 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -60.09 -48.08 83.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.095 -175.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.06 -43.14 83.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.019 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.6 m -54.52 -39.58 67.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.336 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.698 ' HG3' ' HB3' ' A' ' 109' ' ' ASP . 20.6 mmt -66.65 -40.54 88.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.76 0.314 . . . . 0.0 110.744 177.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.0 tpp -61.35 -32.66 72.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.918 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -84.98 -39.73 17.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.559 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.33 -55.63 11.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.865 -176.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.977 HG21 ' HB ' ' A' ' 8' ' ' ILE . 76.4 p -103.25 -34.07 8.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.978 0.418 . . . . 0.0 111.287 -175.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.1 -2.22 31.43 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.551 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.0 m -133.3 157.65 44.93 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.6 t -85.64 108.32 17.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.312 0.577 . . . . 0.0 110.4 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.698 ' HB3' ' HG3' ' A' ' 101' ' ' MET . 0.1 OUTLIER -67.24 137.95 56.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.025 171.694 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -126.94 19.05 7.15 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -103.41 -54.45 2.59 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 116' ' ' VAL . 65.6 t80 -70.8 -46.87 62.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.943 178.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.591 ' HA ' HD23 ' A' ' 97' ' ' LEU . 30.8 m -60.76 -39.85 90.3 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.186 0.517 . . . . 0.0 110.467 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -66.07 -44.43 84.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.368 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.07 -47.43 85.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.733 -176.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 112' ' ' PHE . 71.5 t -57.38 -41.61 78.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.959 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 30.3 mmt -63.95 -43.35 96.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.057 -177.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -72.72 -37.97 67.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.795 0.331 . . . . 0.0 110.575 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 24.0 mt -58.06 -52.82 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.133 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.442 HG21 ' HB ' ' A' ' 78' ' ' VAL . 10.8 p -67.51 -31.9 54.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.357 -175.01 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -70.07 -42.98 72.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.447 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -66.18 -43.16 87.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.951 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 88.8 mt -71.19 -16.37 62.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.726 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.4 t -108.62 3.75 23.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.99 0.424 . . . . 0.0 110.492 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -86.73 93.65 9.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.256 0.55 . . . . 0.0 110.033 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -84.43 88.59 7.29 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.666 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.7 m -152.79 161.1 42.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.271 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.48 25.28 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.461 0.648 . . . . 0.0 109.738 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -79.94 172.57 13.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.315 -174.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -135.01 119.68 18.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.307 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 31.1 m -98.23 10.45 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.161 0.505 . . . . 0.0 111.062 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.6 p -107.36 151.95 24.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.959 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.297 177.314 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.233 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -96.18 159.34 15.01 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.48 56.84 4.14 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.569 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -154.28 177.39 11.18 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 44.7 m -66.82 139.67 57.79 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -96.64 116.04 65.93 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 121.116 0.484 . . . . 0.0 110.928 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -91.07 148.66 3.76 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.04 2.494 . . . . 0.0 112.452 177.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.432 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.5 pp -81.6 1.44 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.18 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 53.1 m95 -75.67 12.93 0.9 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.901 -178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.2 m -74.26 -19.75 60.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.721 0.772 . . . . 0.0 108.945 170.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -122.17 115.64 30.17 Favored Pre-proline 0 N--CA 1.452 -0.33 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.464 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' PRO . . . . . 0.476 ' HG3' ' HD2' ' B' ' 58' ' ' PRO . 37.8 Cg_endo -71.55 -30.27 15.2 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.935 2.423 . . . . 0.0 112.52 -176.105 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -70.16 -40.76 74.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.056 0.455 . . . . 0.0 109.855 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.493 ' HB1' HG22 ' B' ' 105' ' ' THR . . . -63.17 -47.28 83.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.523 178.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.49 98.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.848 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 46.5 ttm -61.54 -35.83 78.84 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.983 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 35.3 m -62.68 -38.96 92.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.157 0.504 . . . . 0.0 109.847 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' MET . . . . . 1.044 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -64.15 -40.27 95.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.845 178.618 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -60.63 -42.77 97.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.049 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -71.39 -38.48 71.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.097 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.41 -38.84 91.22 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.131 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.411 HD23 ' SG ' ' B' ' 96' ' ' CYS . 48.6 mt -59.81 -40.02 86.97 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.986 0.422 . . . . 0.0 111.475 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 97.0 t -67.39 -37.87 79.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.998 0.428 . . . . 0.0 110.475 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -63.48 -50.88 67.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.269 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 0.52 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 29.8 p -66.76 -36.57 82.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.718 0.294 . . . . 0.0 110.895 -177.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.28 -44.12 92.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.888 0.375 . . . . 0.0 111.271 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 34.0 t -65.72 -40.66 92.44 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.52 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 4.2 ptm180 -78.3 -21.96 48.9 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.502 -177.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.9 p -78.01 -41.67 35.09 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.26 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.29 19.5 78.27 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.708 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.442 HG12 HG22 ' B' ' 89' ' ' VAL . 19.3 t -81.67 -40.55 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.319 0.58 . . . . 0.0 110.091 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.422 ' N ' HD12 ' B' ' 32' ' ' LEU . 5.5 mp -78.54 158.06 28.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.817 -176.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 28.0 p -92.72 175.49 6.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.972 -177.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.82 96.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.827 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.74 -42.61 84.26 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.484 177.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -69.93 -47.14 63.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.629 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 84.4 mmm -62.55 -40.23 96.15 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 111.173 -179.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -68.79 -31.29 70.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.596 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.615 ' O ' ' HG2' ' B' ' 42' ' ' MET . 0.9 OUTLIER -66.63 -49.74 65.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.012 176.868 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.549 ' HG3' HG21 ' B' ' 77' ' ' VAL . 91.1 mtp -64.25 -28.47 69.75 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.173 0.511 . . . . 0.0 110.734 177.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.05 -43.14 97.74 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.239 177.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.615 ' HG2' ' O ' ' B' ' 39' ' ' ASP . 18.8 ptt? -71.41 -25.71 62.45 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' MET . . . . . 0.483 ' HB3' ' O ' ' B' ' 40' ' ' MET . 49.4 ttp -57.87 -48.96 78.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.046 0.45 . . . . 0.0 110.302 175.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.04 95.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.772 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.53 -37.97 89.36 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.988 0.423 . . . . 0.0 110.609 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 43.2 t -56.77 -50.45 72.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.76 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 43' ' ' MET . 11.2 t -63.07 -38.61 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.7 -178.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.584 ' O ' ' HG3' ' B' ' 51' ' ' MET . 30.5 m-80 -73.3 -33.37 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.422 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 31.1 p -78.11 -45.92 22.12 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.783 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.417 ' HA ' ' HB2' ' B' ' 53' ' ' LYS . 17.7 mt-30 -72.13 -19.56 61.76 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.392 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' MET . . . . . 0.584 ' HG3' ' O ' ' B' ' 48' ' ' ASN . 3.1 ppp? -69.13 -34.66 75.39 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -76.24 -27.68 56.85 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.455 0.645 . . . . 0.0 109.639 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' B' ' 50' ' ' GLN . 38.4 mmtm -71.01 -11.05 60.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.201 174.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 75.7 mtm -115.07 -63.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.593 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.63 -177.04 25.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.177 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.12 -21.83 35.91 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.779 2.32 . . . . 0.0 112.501 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -130.78 72.67 81.75 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.247 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.476 ' HD2' ' HG3' ' B' ' 12' ' ' PRO . 36.0 Cg_exo -62.14 153.94 66.05 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.97 2.447 . . . . 0.0 113.386 -178.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.896 ' HG2' ' HG3' ' B' ' 62' ' ' ARG . 36.1 Cg_endo -67.01 126.79 15.74 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.935 2.423 . . . . 0.0 110.767 175.105 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.477 ' HG2' HD12 ' B' ' 63' ' ' LEU . 70.4 mt-30 -69.68 -17.57 63.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -171.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.811 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 32.0 p80 -70.14 -34.07 72.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.749 173.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.896 ' HG3' ' HG2' ' B' ' 59' ' ' PRO . 6.3 mmm-85 -72.31 -28.38 63.05 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 174.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.477 HD12 ' HG2' ' B' ' 60' ' ' GLN . 94.2 mt -71.26 -33.75 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.848 176.038 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.811 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 19.9 ptt180 -65.92 -35.74 81.46 Favored 'General case' 0 C--O 1.227 -0.113 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 177.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.11 -35.58 66.59 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.759 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.435 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 91.4 mmm -66.98 -31.51 72.12 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 176.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -55.04 -55.74 27.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.404 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.453 HG22 ' HB1' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -61.6 -37.28 83.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.973 179.437 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.497 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -59.97 -58.4 8.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.184 179.225 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 21.8 ttt -57.91 -46.34 85.11 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.929 0.395 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.96 97.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.226 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.468 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -68.41 -33.45 74.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.386 -178.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 45.0 mt-10 -64.73 -49.0 72.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.517 0.199 . . . . 0.0 110.7 178.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.473 HG23 ' SD ' ' B' ' 43' ' ' MET . 47.7 t -59.02 -46.28 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.061 0.457 . . . . 0.0 110.586 175.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.23 98.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.911 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.674 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 18.1 tp10 -57.66 -49.27 77.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.89 176.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.549 HG21 ' HG3' ' B' ' 40' ' ' MET . 57.7 t -53.73 -55.4 13.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.813 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.461 ' HB ' HG21 ' B' ' 120' ' ' VAL . 54.7 t -63.87 -39.16 84.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.454 -177.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.78 -11.43 60.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -176.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 18.8 m -92.76 -11.63 33.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.009 0.433 . . . . 0.0 110.753 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 93.9 p -66.65 147.01 99.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.37 146.68 24.0 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.626 2.217 . . . . 0.0 111.829 177.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.96 -7.27 12.91 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.677 2.251 . . . . 0.0 112.42 -175.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -91.61 -15.63 28.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.908 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 10.8 p -125.45 0.87 7.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.603 -175.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -54.95 -47.46 74.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.342 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 2.0 p -64.67 -41.26 96.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.474 -177.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.2 86.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.871 0.367 . . . . 0.0 111.216 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.442 HG22 HG12 ' B' ' 31' ' ' VAL . 61.4 t -66.3 -45.49 89.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.331 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 tt -59.01 -45.2 91.26 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.832 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -59.25 -45.26 91.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.089 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.1 m -62.48 -51.93 65.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.77 -176.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.3 mm -62.97 -47.56 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.872 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.7 -45.27 90.94 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.861 -177.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.06 -31.37 67.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.886 0.374 . . . . 0.0 110.789 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' CYS . . . . . 0.411 ' SG ' HD23 ' B' ' 22' ' ' LEU . 53.4 t -72.04 -35.17 69.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.918 -179.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 1.044 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 4.2 mp -56.41 -40.99 75.6 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.709 0.29 . . . . 0.0 111.429 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -62.93 -47.22 84.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.164 0.506 . . . . 0.0 109.982 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -67.54 -49.56 62.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.255 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 68.8 m -52.27 -36.56 53.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.14 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.42 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 14.6 mmt -69.62 -41.62 75.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.712 0.292 . . . . 0.0 110.907 178.111 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 49.4 tpp -64.52 -36.36 83.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.072 0.463 . . . . 0.0 110.55 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -80.38 -18.04 50.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.127 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.82 -59.58 2.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.351 -177.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.493 HG22 ' HB1' ' B' ' 14' ' ' ALA . 68.0 p -100.83 -43.27 6.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.015 0.436 . . . . 0.0 111.29 -175.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 117.34 -6.98 16.49 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -173.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.6 m -134.43 134.51 41.68 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' VAL . . . . . 0.42 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 87.0 t -77.44 107.42 8.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.036 0.446 . . . . 0.0 111.116 -177.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -66.13 107.77 2.04 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.55 174.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -80.55 -26.89 37.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.752 -178.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.29 -45.9 85.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.632 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' PHE . . . . . 0.481 ' O ' HG23 ' B' ' 116' ' ' VAL . 84.5 t80 -69.42 -50.81 42.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.198 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 113' ' ' THR . . . . . 0.669 ' HA ' HD23 ' B' ' 97' ' ' LEU . 16.7 m -55.54 -43.43 75.78 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.421 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 114' ' ' ASN . . . . . 0.449 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 45.7 t30 -64.71 -47.04 79.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.741 178.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.07 -43.46 98.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 -175.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 112' ' ' PHE . 87.6 t -60.24 -39.62 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.891 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 28.9 mmt -66.5 -40.65 89.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.113 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 19.4 mt-30 -64.17 -45.34 88.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.293 177.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 119' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' B' ' 123' ' ' LEU . 33.3 mt -57.35 -53.1 61.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.367 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 120' ' ' VAL . . . . . 0.461 HG21 ' HB ' ' B' ' 78' ' ' VAL . 14.8 p -66.39 -33.2 61.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.841 0.353 . . . . 0.0 111.817 -174.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -76.52 -36.53 57.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.679 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' MET . . . . . 0.401 ' HE3' ' HB3' ' B' ' 122' ' ' MET . 11.8 tmm? -68.44 -39.24 81.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.868 0.366 . . . . 0.0 111.042 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 119' ' ' LEU . 95.1 mt -69.22 -8.98 50.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 6.2 t -128.5 21.75 6.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.505 0.669 . . . . 0.0 109.366 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' B' ' 127' ' ' SER . . . -90.18 117.81 29.22 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.916 -174.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -76.3 10.73 1.86 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.401 178.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' SER . . . . . 0.409 ' H ' ' C ' ' B' ' 125' ' ' ALA . 26.0 m -110.08 83.02 1.69 Allowed 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.708 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.21 12.49 2.82 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.481 0.658 . . . . 0.0 109.723 176.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -85.46 157.82 20.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.914 -176.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -77.78 86.37 4.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.586 0.707 . . . . 0.0 111.074 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 30.8 m -88.94 6.88 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.646 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 6.6 p -137.58 150.11 47.21 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.079 177.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 26.5 m . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.446 -176.823 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.685 ' HB ' HG21 ' A' ' 105' ' ' THR . 2.8 pp . . . . . 0 CA--C 1.529 0.152 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.402 ' CZ2' ' HA ' ' A' ' 67' ' ' ASN . 42.5 m95 -77.38 18.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.543 178.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.3 p -70.9 -23.01 62.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.348 0.594 . . . . 0.0 109.725 172.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -125.78 115.87 24.54 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.37 172.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -65.8 -30.46 49.69 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.863 2.375 . . . . 0.0 112.373 -175.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -76.92 -33.4 57.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.753 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.88 -42.52 90.21 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 176.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.41 90.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.735 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.6 ttm -61.63 -27.66 68.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.201 0.524 . . . . 0.0 110.713 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 48.6 m -64.08 -36.39 83.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.197 177.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.6 ttt -66.57 -41.02 89.21 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -41.24 85.82 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.253 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -69.21 -46.68 66.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.888 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -63.35 -35.51 80.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.421 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.637 HD21 HD12 ' A' ' 97' ' ' LEU . 29.8 mt -60.03 -48.61 81.0 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.603 0.24 . . . . 0.0 110.864 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.23 -41.7 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.681 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -64.48 -44.46 90.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.937 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 27.6 t -65.37 -38.95 91.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.01 0.433 . . . . 0.0 110.579 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -69.12 -38.77 79.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.057 0.456 . . . . 0.0 110.783 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.1 t -68.46 -37.6 80.33 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.912 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 25' ' ' CYS . 7.5 ptm180 -80.06 -19.53 47.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.933 -177.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.423 ' HB2' HG23 ' A' ' 31' ' ' VAL . 14.1 p -84.69 -46.28 11.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.966 0.413 . . . . 0.0 109.923 174.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.33 21.63 72.53 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.715 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.423 HG23 ' HB2' ' A' ' 29' ' ' SER . 14.1 t -79.74 -26.94 12.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.337 0.589 . . . . 0.0 110.179 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.425 HD13 ' HB1' ' A' ' 26' ' ' ALA . 5.7 mp -90.64 152.68 20.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.794 -175.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.4 ' OG1' ' HG3' ' A' ' 36' ' ' GLN . 48.2 p -83.17 169.69 15.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.519 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.72 78.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.718 0.294 . . . . 0.0 111.042 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 1.051 ' HB3' HH22 ' B' ' 64' ' ' ARG . 2.9 m-20 -52.79 -60.72 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.716 175.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.791 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . 8.1 mt-30 -66.61 -36.91 83.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.962 -173.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.5 mmm -63.79 -45.2 90.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.296 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -71.34 -33.18 69.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.805 -176.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 42' ' ' MET . 69.0 m-20 -66.08 -40.78 91.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.959 0.409 . . . . 0.0 110.385 176.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.524 ' O ' ' HB3' ' A' ' 43' ' ' MET . 83.3 mtp -66.59 -34.88 78.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.075 0.464 . . . . 0.0 110.339 174.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.94 -44.85 97.25 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.058 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.527 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -74.99 -18.07 60.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.882 0.372 . . . . 0.0 110.241 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.524 ' HB3' ' O ' ' A' ' 40' ' ' MET . 43.1 ttp -63.41 -43.82 96.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.121 0.486 . . . . 0.0 109.729 172.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.48 97.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.3 175.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.78 -44.23 93.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.027 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.0 p -59.81 -48.77 80.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.041 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.8 t -61.28 -43.77 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.166 0.507 . . . . 0.0 110.174 176.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 23.0 t-20 -57.0 -51.3 69.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.456 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.6 p -77.51 -31.63 53.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.513 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.637 HE22 ' HB3' ' B' ' 46' ' ' SER . 3.9 tp-100 -62.85 -41.14 99.24 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 176.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.4 ttp -59.14 -45.46 90.89 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.553 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 69.6 mt-30 -59.53 -37.59 78.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.088 0.471 . . . . 0.0 110.744 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -68.39 -24.71 64.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.711 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.556 ' CB ' ' HB3' ' A' ' 58' ' ' PRO . 70.9 mtm -105.33 -6.9 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.447 -175.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.62 178.66 35.22 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.561 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.41 -11.17 29.55 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.789 2.326 . . . . 0.0 112.433 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -146.01 78.23 11.6 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.999 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.556 ' HB3' ' CB ' ' A' ' 54' ' ' MET . 35.6 Cg_endo -64.72 167.14 16.07 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.192 2.594 . . . . 0.0 113.356 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HG2' ' HD2' ' A' ' 62' ' ' ARG . 52.4 Cg_exo -51.64 131.56 37.83 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.991 2.461 . . . . 0.0 112.087 175.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -59.21 -39.49 82.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.351 -176.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.601 ' HB2' ' NH2' ' A' ' 64' ' ' ARG . 20.9 p80 -68.3 -26.6 65.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 0.0 111.005 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 66' ' ' MET . 77.1 mtt180 -73.09 -36.14 66.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.246 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.416 HD21 ' HG2' ' A' ' 58' ' ' PRO . 98.8 mt -63.33 -37.49 87.46 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 174.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.918 HH22 ' HB3' ' B' ' 35' ' ' ASP . 44.6 ttp180 -55.14 -47.39 75.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.754 174.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.62 72.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.173 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 95.9 mmm -57.02 -30.19 63.99 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.76 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.402 ' HA ' ' CZ2' ' A' ' 9' ' ' TRP . 5.4 t30 -51.61 -51.99 51.16 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.073 0.463 . . . . 0.0 111.03 176.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.9 m -75.69 -29.42 59.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.935 -175.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.582 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -61.51 -52.49 64.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.931 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.0 ttt -57.77 -44.69 86.35 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.981 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.26 92.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.185 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.418 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -64.6 -40.36 95.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.361 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 6.9 mm-40 -62.12 -45.26 94.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.74 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.563 ' O ' HG23 ' A' ' 78' ' ' VAL . 54.5 t -63.87 -42.19 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.696 177.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.24 88.86 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.451 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.465 ' OE1' ' HA ' ' B' ' 65' ' ' ALA . 23.0 tt0 -64.22 -50.11 69.29 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.909 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.791 ' HB ' ' HB3' ' A' ' 36' ' ' GLN . 35.7 m -60.21 -38.72 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.867 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 74' ' ' VAL . 67.9 t -63.81 -40.54 89.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.099 0.476 . . . . 0.0 110.261 177.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HB1' ' HB2' ' A' ' 124' ' ' SER . . . -78.89 -3.57 45.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.735 -176.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 80' ' ' THR . 24.2 m -102.19 5.61 40.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.705 0.764 . . . . 0.0 110.201 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.1 m -77.62 159.2 77.4 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.028 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -53.57 160.26 5.51 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.813 2.342 . . . . 0.0 111.339 173.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.58 -22.57 58.19 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.159 1.906 . . . . 0.0 112.17 -170.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -96.58 -23.56 16.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.272 0.558 . . . . 0.0 110.737 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.7 m -92.34 -16.99 25.3 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.884 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -54.57 -49.63 69.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.982 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.7 t -64.18 -34.59 78.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.549 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.83 -53.92 27.72 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.018 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.432 HG12 HG22 ' A' ' 78' ' ' VAL . 85.9 t -63.0 -40.72 90.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.767 -178.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -56.93 -52.16 66.28 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.413 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.84 -38.58 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.933 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 38.1 m -65.65 -51.79 56.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.616 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.501 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.1 mm -61.27 -43.31 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.1 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.4 -38.4 93.39 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.241 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.518 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -68.44 -49.2 61.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.725 0.298 . . . . 0.0 110.368 176.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 75.9 m -61.74 -32.63 72.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.495 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.637 HD12 HD21 ' A' ' 22' ' ' LEU . 1.1 mp -54.21 -54.31 41.71 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.938 0.399 . . . . 0.0 111.106 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.3 ttt-85 -59.11 -51.46 69.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.003 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 9.8 mm-40 -60.2 -44.66 94.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.783 -177.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.5 m -55.54 -46.38 77.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.196 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.447 ' SD ' HG12 ' A' ' 8' ' ' ILE . 16.8 mmt -62.94 -44.75 95.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.1 ttm -65.32 -31.81 73.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.599 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -89.55 -11.98 41.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.824 0.345 . . . . 0.0 111.377 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.5 -58.1 2.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.848 0.356 . . . . 0.0 111.242 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.685 HG21 ' HB ' ' A' ' 8' ' ' ILE . 71.9 p -103.31 -25.58 13.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.28 -175.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 103.32 -7.77 51.78 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.744 -177.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.0 m -134.47 159.18 41.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.8 t -93.33 106.26 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.844 0.354 . . . . 0.0 110.673 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -69.76 112.93 6.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.893 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -77.91 -30.97 50.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.02 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.87 75.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 -175.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.441 ' O ' HG23 ' A' ' 116' ' ' VAL . 50.8 t80 -72.76 -44.46 61.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.449 -178.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.592 ' HA ' HD23 ' A' ' 97' ' ' LEU . 49.3 m -63.9 -36.35 83.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 110.72 -176.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -73.09 -40.08 65.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.5 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -58.08 -45.36 87.3 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.77 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 112' ' ' PHE . 57.3 t -60.6 -38.63 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.411 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.7 mmt -68.93 -39.89 79.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.146 0.498 . . . . 0.0 110.219 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -70.01 -41.56 74.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.367 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.623 HD23 ' HE1' ' B' ' 122' ' ' MET . 20.4 mt -59.12 -50.93 72.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.271 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.7 p -67.17 -36.14 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -172.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -68.0 -40.12 83.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.979 0.418 . . . . 0.0 110.576 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -74.07 -38.07 64.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.796 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -60.71 -29.31 69.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.756 -175.485 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.448 ' HB2' ' HB1' ' A' ' 79' ' ' ALA . 7.3 t . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 120.912 0.387 . . . . 0.0 110.764 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.443 ' CG2' HG21 ' B' ' 105' ' ' THR . 17.0 pt . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.881 0.372 . . . . 0.0 111.637 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -75.07 84.15 2.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.793 0.806 . . . . 0.0 111.261 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.2 t -154.67 -36.53 0.09 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.283 -1.326 . . . . 0.0 108.173 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -100.89 114.01 65.78 Favored Pre-proline 0 N--CA 1.452 -0.35 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 169.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' PRO . . . . . 0.503 ' HB2' ' SD ' ' B' ' 51' ' ' MET . 27.2 Cg_endo -67.88 -32.92 28.01 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.665 2.243 . . . . 0.0 112.384 -173.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -70.31 -41.8 72.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.992 0.425 . . . . 0.0 110.519 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.44 89.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.697 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.47 96.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.71 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.8 ttm -62.36 -28.26 69.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.891 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 32.2 m -61.35 -39.26 89.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.15 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.629 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 6.6 ttt -64.75 -42.44 95.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.976 177.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -59.6 -45.28 92.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.63 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -65.54 -44.9 85.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.833 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -63.62 -32.27 73.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.529 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.29 -47.48 85.77 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 120.65 0.262 . . . . 0.0 110.886 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.51 -39.52 85.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.49 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.535 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 46.0 mt-30 -66.05 -41.0 91.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 30.3 t -64.95 -42.12 94.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.482 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.63 80.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.284 0.564 . . . . 0.0 111.031 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 37.6 t -70.85 -29.54 65.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.185 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 2.2 ptp180 -98.11 6.67 47.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.639 0.257 . . . . 0.0 111.677 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.411 ' HB2' HG23 ' B' ' 31' ' ' VAL . 18.4 p -104.9 -44.38 4.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.975 0.417 . . . . 0.0 110.071 173.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.94 15.42 81.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.854 175.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.411 HG23 ' HB2' ' B' ' 29' ' ' SER . 10.7 t -79.87 -24.45 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.466 0.65 . . . . 0.0 109.774 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.578 HD23 ' HB3' ' B' ' 36' ' ' GLN . 5.3 mp -90.2 166.76 13.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.841 -174.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 23.1 p -108.08 178.08 4.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.95 -41.46 74.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.591 0.234 . . . . 0.0 110.703 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.918 ' HB3' HH22 ' A' ' 64' ' ' ARG . 4.6 m-20 -47.08 -63.37 1.05 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.684 0.754 . . . . 0.0 110.211 172.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.578 ' HB3' HD23 ' B' ' 32' ' ' LEU . 51.2 mt-30 -63.25 -46.44 86.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.277 -1.329 . . . . 0.0 112.05 -173.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 85.0 mmm -65.03 -34.02 77.43 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -176.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.455 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 37.1 t70 -81.1 -35.59 31.44 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.856 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -66.39 -43.92 84.49 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.977 0.418 . . . . 0.0 110.125 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.588 ' HG3' HG21 ' B' ' 77' ' ' VAL . 88.2 mtp -66.76 -32.5 73.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.029 0.442 . . . . 0.0 110.223 174.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.18 -47.14 91.86 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.883 176.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.425 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 18.5 ptt? -74.15 -15.72 61.02 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.459 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . 0.502 ' O ' HG23 ' B' ' 47' ' ' VAL . 51.3 ttp -64.83 -50.93 64.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.067 0.46 . . . . 0.0 110.056 173.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.74 85.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.352 0.596 . . . . 0.0 110.233 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.425 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 30.0 t70 -67.44 -42.84 82.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.659 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.637 ' HB3' HE22 ' A' ' 50' ' ' GLN . 9.0 p -62.57 -46.64 87.4 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.999 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 43' ' ' MET . 43.0 t -55.5 -44.48 76.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.111 0.481 . . . . 0.0 110.281 177.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -66.39 -51.7 54.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.952 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.564 ' O ' ' HG2' ' B' ' 52' ' ' GLN . 28.9 p -70.41 -25.64 63.32 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -76.72 -32.97 58.18 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.1 175.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . 0.503 ' SD ' ' HB2' ' B' ' 12' ' ' PRO . 45.3 mtp -67.73 -42.74 81.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.008 177.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' B' ' 49' ' ' SER . 11.9 pt20 -66.4 -21.53 66.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.745 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' B' ' 49' ' ' SER . 48.8 mtpt -76.58 -24.05 53.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 175.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . 0.556 ' SD ' ' HD2' ' B' ' 62' ' ' ARG . 74.1 mtm -98.88 -55.13 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.09 -175.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.28 -172.6 23.14 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.091 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -72.93 -9.59 23.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.967 2.445 . . . . 0.0 112.598 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -146.13 87.94 6.48 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.226 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.42 167.78 17.01 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.97 2.447 . . . . 0.0 112.2 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -67.24 129.84 21.31 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.361 2.041 . . . . 0.0 111.2 174.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -61.12 -30.53 70.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.967 -173.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . 0.563 ' O ' ' HB3' ' B' ' 64' ' ' ARG . 35.0 p80 -61.68 -30.69 70.9 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.414 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.557 ' O ' ' HG2' ' B' ' 66' ' ' MET . 71.4 mtt180 -69.85 -40.05 76.02 Favored 'General case' 0 CA--C 1.522 -0.106 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.223 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.65 -35.03 79.69 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 1.051 HH22 ' HB3' ' A' ' 35' ' ' ASP . 54.8 ttp180 -53.44 -50.9 64.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.104 172.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.465 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -68.75 -22.58 64.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.725 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 93.3 mmm -72.51 -29.05 63.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.611 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' B' ' 64' ' ' ARG . 11.1 t-20 -50.78 -59.47 4.06 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.547 0.53 . . . . 0.0 111.466 177.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.418 HG22 ' HB1' ' A' ' 72' ' ' ALA . 25.3 m -73.7 -27.44 61.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.2 -175.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.39 -54.43 45.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.957 0.408 . . . . 0.0 110.563 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.1 ttt -59.61 -44.49 93.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.06 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.69 88.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.304 -177.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.56 83.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.285 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -60.36 -50.08 75.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.242 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.443 ' O ' HG23 ' B' ' 78' ' ' VAL . 55.7 t -59.17 -41.64 84.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.937 0.398 . . . . 0.0 110.698 178.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.39 91.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.226 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -61.21 -43.21 99.24 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.588 HG21 ' HG3' ' B' ' 40' ' ' MET . 5.7 t -53.28 -57.76 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.054 177.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 74' ' ' VAL . 66.4 t -61.3 -39.86 84.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.456 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.19 -4.97 36.23 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 25.6 m -88.03 -12.72 43.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.301 0.572 . . . . 0.0 110.672 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 40.4 m -70.28 156.33 92.03 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.139 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . 0.638 ' HD2' ' HB2' ' B' ' 85' ' ' SER . 24.5 Cg_exo -64.49 163.06 28.3 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.672 2.248 . . . . 0.0 109.99 172.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -55.56 -43.28 59.51 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.345 2.03 . . . . 0.0 112.166 -173.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -69.82 -31.63 69.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.474 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.638 ' HB2' ' HD2' ' B' ' 82' ' ' PRO . 19.2 m -87.11 -27.41 23.12 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -53.36 -51.09 63.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.545 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 36.5 t -61.28 -40.77 95.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.873 0.368 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.71 -46.93 70.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.288 -178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.39 -42.68 96.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.979 0.419 . . . . 0.0 110.271 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.82 -51.38 70.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.365 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -55.99 -45.8 78.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.771 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 88.4 m -61.7 -55.77 26.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.848 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -60.24 -41.69 87.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.117 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.78 -31.94 65.02 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.245 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.81 -39.73 21.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.735 0.303 . . . . 0.0 110.65 176.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 92.9 m -58.38 -39.21 79.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.213 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.681 HD23 ' HA ' ' B' ' 113' ' ' THR . 6.9 mp -59.5 -45.72 90.9 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.732 0.301 . . . . 0.0 110.929 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -58.34 -52.62 64.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.698 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.7 -48.2 81.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.433 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.1 m -55.26 -38.55 68.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.358 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 11.9 mmt -64.43 -43.76 93.34 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.043 0.449 . . . . 0.0 110.87 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 22.0 ttm -68.78 -29.13 67.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.206 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -84.47 -24.93 29.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.847 0.356 . . . . 0.0 111.051 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.32 -56.62 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.312 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.443 HG21 ' CG2' ' B' ' 8' ' ' ILE . 81.3 p -107.29 -36.5 6.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.154 0.502 . . . . 0.0 111.239 -175.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 118.65 -13.79 11.79 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.528 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 22.0 m -128.84 154.24 46.65 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 61.7 t -92.83 117.75 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.016 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -88.38 132.55 34.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.091 172.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -96.2 -19.74 19.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.553 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.72 -50.49 70.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.922 0.391 . . . . 0.0 110.801 -176.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -69.8 -49.1 56.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.286 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.681 ' HA ' HD23 ' B' ' 97' ' ' LEU . 24.4 m -55.18 -43.44 74.34 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.836 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -66.08 -42.4 89.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.691 0.282 . . . . 0.0 110.892 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.08 -45.47 83.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.522 HG21 HD21 ' B' ' 97' ' ' LEU . 60.9 t -62.84 -33.59 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.255 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' B' ' 113' ' ' THR . 26.2 mmt -68.62 -43.4 76.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.316 0.579 . . . . 0.0 109.846 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -67.87 -36.24 79.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.486 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' B' ' 116' ' ' VAL . 31.0 mt -62.12 -54.14 45.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.015 177.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 13.6 p -65.98 -34.75 72.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.653 -173.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . 0.418 ' HE3' ' HB3' ' B' ' 121' ' ' LYS . 28.4 mtpp -66.28 -40.39 90.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.95 0.405 . . . . 0.0 110.367 176.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.623 ' HE1' HD23 ' A' ' 119' ' ' LEU . 41.7 ttp -67.01 -40.22 87.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.006 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.35 -20.07 65.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.286 0.565 . . . . 0.0 111.208 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 33.7 m -105.1 10.7 33.84 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.776 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 121.248 0.547 . . . . 0.0 111.218 -178.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.477 ' CG2' HG21 ' A' ' 105' ' ' THR . 9.2 pt . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -74.76 3.79 7.43 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.248 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.5 m -60.17 -27.57 67.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.342 0.592 . . . . 0.0 109.826 171.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -128.02 115.39 20.41 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 170.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -65.17 -29.84 55.57 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.881 2.388 . . . . 0.0 112.63 -171.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -72.4 -39.13 68.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.781 0.324 . . . . 0.0 110.577 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.87 -42.88 84.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.239 0.542 . . . . 0.0 110.179 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.407 ' HA ' ' CD1' ' A' ' 8' ' ' ILE . . . -64.15 -41.07 97.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.635 176.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.543 ' HE2' HG12 ' A' ' 47' ' ' VAL . 48.3 ttm -62.81 -24.8 67.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.553 177.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.8 m -70.49 -34.35 72.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.089 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.895 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -65.41 -41.4 93.66 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -39.91 95.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.301 175.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -65.57 -48.41 72.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.625 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -62.54 -32.55 73.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.143 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 18' ' ' MET . 30.3 mt -61.54 -46.25 90.72 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.64 0.257 . . . . 0.0 110.673 176.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.71 -41.1 91.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.201 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.45 ' HB3' ' NH2' ' A' ' 28' ' ' ARG . 74.8 mt-30 -60.91 -47.95 84.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.021 0.439 . . . . 0.0 110.619 177.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.1 t -62.55 -39.16 92.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.692 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.18 -38.41 78.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.131 0.491 . . . . 0.0 111.206 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.9 t -67.77 -32.84 73.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.605 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.45 ' NH2' ' HB3' ' A' ' 24' ' ' GLN . 5.2 ptp180 -88.04 -20.58 25.58 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.561 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.5 p -80.27 -48.89 12.35 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.29 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.58 9.33 86.19 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.647 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 89' ' ' VAL . 11.1 p -75.51 -18.74 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.246 0.546 . . . . 0.0 110.029 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.529 HD23 ' HB3' ' A' ' 36' ' ' GLN . 5.4 mp -84.47 175.05 9.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.319 178.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.8 p -108.67 178.77 4.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.683 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.92 99.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.907 0.384 . . . . 0.0 110.258 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.43 -50.91 68.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.982 174.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.529 ' HB3' HD23 ' A' ' 32' ' ' LEU . 48.1 mt-30 -64.03 -46.25 85.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.001 -177.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 78.6 mmm -66.56 -41.45 88.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.68 -31.93 71.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.101 0.477 . . . . 0.0 110.426 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.425 ' OD1' ' HB2' ' B' ' 65' ' ' ALA . 2.7 t70 -70.98 -45.58 63.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.1 178.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 50.0 mmm -58.67 -41.33 85.9 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.349 175.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.38 -40.93 99.46 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.848 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -62.39 -39.83 94.5 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.58 0.229 . . . . 0.0 110.567 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.419 ' O ' HG23 ' A' ' 47' ' ' VAL . 39.6 ttp -55.19 -51.25 67.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.687 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.7 97.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.92 -45.37 90.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.316 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.8 t -58.34 -52.76 64.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.543 HG12 ' HE2' ' A' ' 16' ' ' MET . 53.6 t -56.16 -43.69 76.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-O 120.902 0.382 . . . . 0.0 110.655 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -63.69 -46.86 83.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.368 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.418 ' HA ' HE21 ' A' ' 52' ' ' GLN . 11.5 t -62.86 -44.8 95.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.651 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -62.02 -38.34 88.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 68.0 mmm -62.44 -44.07 97.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.903 176.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.418 HE21 ' HA ' ' A' ' 49' ' ' SER . 48.8 mt-30 -61.41 -33.08 73.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.793 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -78.23 -21.55 49.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.825 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.605 ' SD ' ' HD3' ' A' ' 62' ' ' ARG . 75.9 mtm -93.04 -43.14 9.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.749 0.309 . . . . 0.0 111.11 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.13 -147.11 18.44 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.591 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.84 132.64 17.32 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.766 2.311 . . . . 0.0 112.386 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 56.71 89.26 0.11 Allowed Pre-proline 0 N--CA 1.467 0.419 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.164 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -75.13 159.81 40.45 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.174 1.916 . . . . 0.0 111.409 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.478 ' HG2' ' CB ' ' A' ' 62' ' ' ARG . 12.7 Cg_endo -58.66 129.06 30.54 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.595 2.197 . . . . 0.0 111.85 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -59.23 -39.76 83.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.317 -175.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -67.41 -22.64 65.53 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.123 0.487 . . . . 0.0 110.356 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.605 ' HD3' ' SD ' ' A' ' 54' ' ' MET . 45.4 ttt180 -80.28 -28.82 38.27 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.18 -39.9 95.98 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.478 HH11 ' HG2' ' A' ' 64' ' ' ARG . 36.9 ttp85 -56.73 -44.02 81.22 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.106 172.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.434 ' HA ' ' OE2' ' B' ' 76' ' ' GLU . . . -65.76 -52.03 54.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.421 -0.808 . . . . 0.0 112.176 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 90.2 mmm -62.11 -31.04 71.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.396 -173.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -57.95 -45.83 86.04 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.214 0.531 . . . . 0.0 110.308 174.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 m -73.12 -39.15 65.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.734 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.82 53.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.192 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.9 ttt -55.64 -41.28 73.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.148 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -47.41 82.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.28 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.68 -29.82 68.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.33 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.625 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 48.6 mt-10 -65.2 -50.71 64.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.747 178.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.56 -41.17 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.21 0.528 . . . . 0.0 110.458 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.0 95.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.509 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.625 ' HG3' ' O ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -71.19 -22.51 62.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.383 -179.055 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 73' ' ' GLU . 54.6 t -65.81 -56.35 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 171.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.403 ' HB ' HG21 ' A' ' 120' ' ' VAL . 55.8 t -63.66 -37.44 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.659 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.01 -0.29 15.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.402 ' O ' HG22 ' A' ' 80' ' ' THR . 11.1 m -118.75 21.3 12.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.858 0.837 . . . . 0.0 110.242 178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.6 p -86.88 159.5 51.67 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.841 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -53.04 143.22 51.2 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.483 2.122 . . . . 0.0 111.821 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.49 -12.68 36.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.566 2.177 . . . . 0.0 112.16 -173.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -96.67 -2.69 44.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.875 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.1 m -133.91 0.53 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.615 -176.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -53.76 -48.33 69.84 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.036 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 p -62.07 -39.74 93.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.178 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.15 -47.99 72.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.044 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 31' ' ' VAL . 48.9 t -63.76 -43.14 97.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.952 0.406 . . . . 0.0 110.188 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.28 -51.35 70.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.412 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -57.6 -40.86 80.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.889 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.8 m -61.47 -57.51 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.46 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 93' ' ' ILE . 0.8 OUTLIER -58.84 -44.03 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.145 179.759 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.57 -35.06 71.3 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.564 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.22 -41.65 33.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.699 0.285 . . . . 0.0 110.559 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 79.7 m -58.03 -40.89 82.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.895 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 6.6 mp -56.93 -45.47 82.69 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.584 0.23 . . . . 0.0 111.486 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.401 HH11 ' HB3' ' A' ' 98' ' ' ARG . 1.9 ttp-105 -64.99 -44.56 88.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.167 -177.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 67.2 mm-40 -65.45 -49.46 69.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.823 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.6 m -54.7 -39.6 68.33 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.609 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.486 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 12.8 mmt -60.33 -45.85 91.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.785 0.326 . . . . 0.0 110.601 177.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 28.2 ttm -69.63 -33.39 72.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.324 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 13.0 mm100 -80.79 -16.91 52.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.775 0.322 . . . . 0.0 111.065 -178.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.66 -47.69 5.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.737 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.477 HG21 ' CG2' ' A' ' 8' ' ' ILE . 67.5 p -111.87 -20.92 11.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.908 0.385 . . . . 0.0 111.62 -174.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.22 3.04 70.16 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.1 p -142.67 153.98 43.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -177.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.486 ' HA ' ' HB3' ' A' ' 101' ' ' MET . 85.1 t -107.89 117.87 54.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.701 -176.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -87.95 125.57 34.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 170.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -96.76 -9.0 29.81 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.854 0.359 . . . . 0.0 110.533 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.3 -51.84 40.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.839 0.352 . . . . 0.0 110.271 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -65.95 -49.92 66.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.998 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.709 ' HA ' HD23 ' A' ' 97' ' ' LEU . 22.2 m -52.31 -46.26 65.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.481 -0.782 . . . . 0.0 112.033 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.474 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 52.4 t30 -67.86 -42.86 80.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.729 0.3 . . . . 0.0 110.625 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -57.07 -46.69 82.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.919 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.499 HG21 HD21 ' A' ' 97' ' ' LEU . 78.1 t -61.35 -35.05 63.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.996 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 13.8 mmt -69.92 -38.43 76.24 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 68.0 mm-40 -74.89 -34.61 62.21 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.346 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.06 -51.72 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.158 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.403 HG21 ' HB ' ' A' ' 78' ' ' VAL . 12.2 p -65.94 -34.62 71.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.348 -176.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -60.9 -54.45 44.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.098 0.475 . . . . 0.0 110.362 175.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.656 ' HE1' HD23 ' B' ' 119' ' ' LEU . 34.1 ttp -64.97 -42.87 94.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.712 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 49.9 tp -67.33 -30.78 70.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.507 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 121.301 0.572 . . . . 0.0 110.581 -178.911 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.577 ' HB ' HG21 ' B' ' 105' ' ' THR . 1.1 pp . . . . . 0 CA--C 1.531 0.244 0 CA-C-O 120.93 0.395 . . . . 0.0 111.502 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -81.58 88.1 6.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.439 0.638 . . . . 0.0 110.958 177.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.5 m -149.39 -50.79 0.15 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.537 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -89.64 117.21 67.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 171.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -66.48 -34.74 32.85 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.807 2.338 . . . . 0.0 112.609 -173.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -73.85 -34.89 64.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.835 0.35 . . . . 0.0 110.316 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.04 -48.27 71.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.11 93.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.637 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 50.8 ttm -59.78 -27.16 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.063 178.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.1 m -65.74 -41.08 92.63 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.229 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.449 ' HG3' ' SD ' ' B' ' 101' ' ' MET . 0.2 OUTLIER -62.66 -41.12 98.89 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.294 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -61.87 -42.68 99.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.811 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . 0.425 ' O ' ' HG3' ' B' ' 24' ' ' GLN . 14.7 t-20 -73.17 -40.35 64.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.889 -176.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.18 -36.44 79.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.715 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.745 HD21 HD12 ' B' ' 97' ' ' LEU . 37.5 mt -58.47 -45.76 87.98 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.07 -36.27 77.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.466 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' B' ' 20' ' ' ASN . 69.7 mt-30 -63.78 -44.65 92.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.475 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . 0.426 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 30.9 p -77.98 -37.0 48.33 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.865 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.17 91.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.062 0.458 . . . . 0.0 110.742 176.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -65.19 -27.99 69.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.796 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 18.5 ptp180 -103.94 -6.26 21.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 31.2 p -86.59 -39.18 16.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.944 0.402 . . . . 0.0 110.098 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.49 17.82 76.57 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.671 176.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.422 HG22 HG22 ' B' ' 89' ' ' VAL . 10.2 p -88.93 -13.99 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.352 0.596 . . . . 0.0 109.871 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' B' ' 36' ' ' GLN . 5.6 mp -94.96 159.18 15.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.85 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 44.5 p -96.67 -176.8 3.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.95 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.47 97.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.527 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -57.71 -51.27 70.22 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.53 ' HB3' HD23 ' B' ' 32' ' ' LEU . 79.7 mt-30 -60.85 -50.91 71.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.934 -178.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 83.3 mmm -67.07 -35.29 79.5 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -72.86 -31.1 64.5 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.15 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' B' ' 42' ' ' MET . 25.8 t0 -69.49 -50.24 47.17 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 175.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.497 ' HG2' HG21 ' B' ' 77' ' ' VAL . 55.2 mmm -57.17 -43.01 82.21 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.732 176.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.94 -45.37 92.59 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.096 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.548 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 20.3 ptt? -73.01 -21.98 60.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.648 0.261 . . . . 0.0 110.499 -179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . 0.518 ' O ' HG23 ' B' ' 47' ' ' VAL . 46.0 ttp -60.27 -57.68 11.77 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 173.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.2 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.185 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.548 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 20.9 t70 -56.88 -41.66 78.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.282 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.0 t -65.44 -48.18 73.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.283 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 43' ' ' MET . 24.3 t -57.18 -47.64 83.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 120.938 0.399 . . . . 0.0 110.003 178.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' B' ' 52' ' ' GLN . 4.5 m-20 -56.23 -51.19 69.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.609 175.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 22.3 t -59.55 -47.95 83.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.993 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -65.49 -36.75 84.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.987 -176.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 62.4 mmm -67.11 -40.81 86.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.919 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' B' ' 48' ' ' ASN . 48.8 mt-30 -69.3 -21.42 63.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.98 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -80.02 -34.71 38.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 75.0 mtm -86.05 -50.01 7.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 -177.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.2 -160.39 18.51 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.545 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.43 136.39 28.59 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.789 2.326 . . . . 0.0 112.551 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 63.91 73.21 0.48 Allowed Pre-proline 0 N--CA 1.467 0.401 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.969 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -85.04 172.05 8.86 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.833 2.355 . . . . 0.0 112.301 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.41 114.64 2.03 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.681 2.254 . . . . 0.0 111.691 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -63.56 -36.36 83.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -176.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . 0.578 ' O ' ' HB3' ' B' ' 64' ' ' ARG . 0.2 OUTLIER -71.06 -23.94 62.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.133 0.492 . . . . 0.0 110.146 -178.755 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.539 ' O ' ' HG2' ' B' ' 66' ' ' MET . 26.0 ttm180 -74.22 -33.24 63.31 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.68 -36.29 83.36 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.578 ' HB3' ' O ' ' B' ' 61' ' ' HIS . 20.8 ttp85 -55.82 -46.01 78.19 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.444 173.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.553 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -67.88 -41.26 83.04 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.784 179.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 96.0 mmm -61.77 -27.1 68.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.04 -178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -53.96 -52.04 61.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.433 174.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.544 HG21 ' HB3' ' A' ' 76' ' ' GLU . 15.9 m -67.68 -37.55 82.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.071 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.49 -52.15 66.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 0.0 110.77 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.8 ttt -60.01 -45.54 92.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.95 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.05 99.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.533 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.82 -37.5 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.468 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.59 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . 16.4 mt-10 -62.52 -44.17 97.03 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.05 178.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.44 ' O ' HG23 ' B' ' 78' ' ' VAL . 71.6 t -60.45 -41.53 87.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.033 0.444 . . . . 0.0 110.483 177.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.23 -48.41 73.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.5 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.59 ' HG2' ' HA ' ' B' ' 73' ' ' GLU . 6.5 pt-20 -63.26 -33.57 75.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.49 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.51 HG13 ' HB3' ' B' ' 36' ' ' GLN . 20.6 t -59.11 -54.28 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.369 174.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 74' ' ' VAL . 68.7 t -60.87 -42.81 94.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.329 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.44 -25.71 66.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.214 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 23.0 m -87.94 75.5 8.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.522 0.677 . . . . 0.0 110.221 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.498 ' HB3' ' NE2' ' B' ' 36' ' ' GLN . 57.3 p -157.54 163.54 24.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.142 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.31 147.07 95.59 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.083 1.855 . . . . 0.0 110.826 172.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.21 -21.94 67.21 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.177 1.918 . . . . 0.0 111.935 -173.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -81.15 -16.34 53.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.223 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.417 ' O ' HG23 ' B' ' 89' ' ' VAL . 32.1 m -114.36 -21.12 10.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.232 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -49.62 -47.54 49.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.812 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 7.2 t -63.21 -31.96 73.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.669 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.51 -44.36 35.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.569 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.422 HG22 HG22 ' B' ' 31' ' ' VAL . 44.2 t -60.36 -43.7 94.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.167 0.508 . . . . 0.0 109.883 177.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -57.58 -51.64 68.65 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.53 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.53 -37.83 82.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.181 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 58.1 m -63.29 -53.12 57.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.392 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.2 mm -62.49 -42.68 96.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.385 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.85 -36.47 87.39 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.386 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.5 -44.92 56.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.932 0.396 . . . . 0.0 110.15 175.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' CYS . . . . . 0.458 ' HB3' HD23 ' B' ' 22' ' ' LEU . 23.1 m -54.99 -41.13 70.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.0 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.745 HD12 HD21 ' B' ' 22' ' ' LEU . 1.9 mp -52.96 -49.1 66.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 111.703 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.458 ' HD3' HH11 ' B' ' 98' ' ' ARG . 13.3 ttt-85 -60.37 -51.55 69.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.23 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.42 -44.77 86.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.133 -177.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 66.3 m -55.35 -42.7 74.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.214 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.449 ' SD ' ' HG3' ' B' ' 18' ' ' MET . 17.5 mmt -63.58 -43.75 96.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.83 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 26.8 ttm -65.74 -35.81 81.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.354 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -86.31 -4.17 59.12 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.803 0.335 . . . . 0.0 111.459 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.22 -59.92 1.62 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.966 0.412 . . . . 0.0 111.167 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.577 HG21 ' HB ' ' B' ' 8' ' ' ILE . 57.8 p -99.83 -23.23 15.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.145 0.498 . . . . 0.0 111.079 -175.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 100.57 6.84 52.38 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.774 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 38.5 p -152.07 156.63 40.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.9 t -91.76 114.37 28.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.814 0.34 . . . . 0.0 111.051 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -86.21 137.34 32.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.784 173.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -97.9 -29.22 13.45 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.008 -176.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.75 -50.61 73.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.749 0.309 . . . . 0.0 111.416 -177.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.442 ' O ' HG23 ' B' ' 116' ' ' VAL . 79.4 t80 -69.19 -49.03 60.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.074 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.616 ' HA ' HD23 ' B' ' 97' ' ' LEU . 32.8 m -56.78 -43.16 80.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.181 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . 0.585 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 9.5 t30 -64.87 -48.64 73.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.174 178.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.22 -42.69 95.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.1 -173.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.55 ' HA ' HD12 ' B' ' 119' ' ' LEU . 63.9 t -59.6 -38.4 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.95 0.405 . . . . 0.0 111.162 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 11.2 mmt -69.04 -39.8 78.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.123 0.487 . . . . 0.0 110.028 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' B' ' 114' ' ' ASN . 51.8 mm-40 -71.15 -35.23 71.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.21 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.656 HD23 ' HE1' ' A' ' 122' ' ' MET . 13.6 mt -58.32 -49.08 78.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.051 177.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . 0.439 HG21 ' HB ' ' B' ' 78' ' ' VAL . 15.0 p -72.12 -32.42 43.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.908 0.385 . . . . 0.0 111.259 -176.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -65.19 -43.73 90.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.482 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -69.23 -40.83 77.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.947 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 42.3 tp -66.42 -32.46 73.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.064 0.459 . . . . 0.0 110.791 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 35.7 t -92.1 6.21 47.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.79 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.911 0.386 . . . . 0.0 110.877 -178.147 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 pp . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.57 0.224 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -70.15 89.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.685 0.755 . . . . 0.0 111.28 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.2 m -148.08 -44.46 0.16 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.784 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -101.12 120.72 54.37 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.797 173.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -71.81 -36.4 6.29 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.701 2.267 . . . . 0.0 112.606 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -67.94 -34.96 77.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.982 0.42 . . . . 0.0 110.586 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.57 -43.86 79.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.315 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.92 -35.64 80.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.698 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 50.3 ttm -61.2 -28.96 69.52 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.866 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.0 m -64.36 -39.99 94.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.815 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.448 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -63.66 -41.22 98.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.574 178.707 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -62.32 -45.53 92.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.662 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -68.8 -41.95 77.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.862 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.423 ' HA ' HE21 ' A' ' 24' ' ' GLN . 8.6 m-20 -63.69 -34.0 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.39 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.72 HD21 HD12 ' A' ' 97' ' ' LEU . 23.8 mt -61.81 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.861 176.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.83 -44.49 99.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.879 0.371 . . . . 0.0 110.531 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.47 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 48.3 mt-30 -61.17 -43.41 98.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.105 0.478 . . . . 0.0 110.134 177.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.5 t -66.48 -38.4 87.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.258 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.8 -36.12 72.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.098 0.475 . . . . 0.0 110.62 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.8 t -66.57 -43.74 84.16 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.171 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.3 ptm180 -69.15 -39.15 78.99 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.236 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.514 ' HB2' HG23 ' A' ' 31' ' ' VAL . 28.0 p -67.71 -45.18 75.85 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.64 0.257 . . . . 0.0 110.58 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.84 6.56 85.55 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.799 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.514 HG23 ' HB2' ' A' ' 29' ' ' SER . 12.2 t -66.84 -29.23 45.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.478 0.656 . . . . 0.0 110.078 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.5 ' HB3' ' HB2' ' A' ' 36' ' ' GLN . 5.6 mp -90.78 149.36 22.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.141 -174.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.3 p -84.18 177.77 8.08 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.189 -177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.25 -30.96 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.483 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.17 -50.91 66.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.448 0.642 . . . . 0.0 109.433 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.62 ' HB3' HG13 ' A' ' 77' ' ' VAL . 49.0 mt-30 -65.09 -47.82 75.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.266 -178.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.08 -43.35 98.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.498 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.18 -37.13 86.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.439 . . . . 0.0 110.735 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.487 ' HB3' HG22 ' A' ' 77' ' ' VAL . 1.2 t70 -68.72 -44.53 73.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.336 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.436 ' O ' ' HB3' ' A' ' 43' ' ' MET . 93.7 mtp -61.82 -30.41 70.81 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.107 0.48 . . . . 0.0 110.378 176.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.85 -48.32 84.61 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.097 175.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.454 ' SD ' ' HD3' ' B' ' 62' ' ' ARG . 12.6 ptt? -73.37 -20.44 60.76 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.308 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.573 ' O ' HG23 ' A' ' 47' ' ' VAL . 48.7 ttp -59.99 -53.49 57.24 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -38.57 84.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.247 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.95 -45.93 91.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.251 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.0 p -62.32 -35.08 77.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.972 0.415 . . . . 0.0 111.192 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 43' ' ' MET . 28.3 t -65.72 -38.33 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.134 177.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -79.52 -40.18 30.24 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.089 -177.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.458 ' HB3' ' HE3' ' B' ' 53' ' ' LYS . 7.8 p -65.51 -28.0 68.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.625 ' HB3' ' HE2' ' A' ' 54' ' ' MET . 90.1 mt-30 -74.83 -29.45 61.07 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.255 173.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 93.1 mmm -70.31 -36.38 74.26 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.82 -178.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.411 ' HG2' ' HA ' ' A' ' 49' ' ' SER . 17.3 pt20 -72.07 -25.78 61.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.0 110.463 177.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -71.99 -53.31 13.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.096 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.625 ' HE2' ' HB3' ' A' ' 50' ' ' GLN . 55.9 mtm -89.93 -40.02 12.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.016 -171.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.2 -174.77 15.52 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -174.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.98 -1.81 11.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.814 2.342 . . . . 0.0 112.56 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -128.3 78.84 75.01 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.674 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.0 164.9 34.13 Favored 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 122.966 2.444 . . . . 0.0 112.114 171.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.554 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 36.5 Cg_endo -67.53 152.8 77.94 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.497 2.131 . . . . 0.0 111.744 175.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -58.12 -38.77 77.15 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.799 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.692 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 28.7 p80 -64.71 -25.1 67.79 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.781 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.554 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 2.9 tmt_? -69.91 -29.38 66.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 63' ' ' LEU . 4.1 mm? -68.9 -50.45 49.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.218 176.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.692 ' HG2' ' HA ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -65.66 -30.25 70.92 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.238 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.672 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -69.22 -52.64 25.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.318 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.497 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 98.0 mmm -64.98 -24.02 67.39 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.123 -176.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -55.04 -37.71 67.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.232 0.539 . . . . 0.0 109.97 172.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.597 HG22 ' HB1' ' B' ' 72' ' ' ALA . 8.0 m -89.84 -41.81 11.61 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.887 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.497 ' HB3' ' HA ' ' A' ' 66' ' ' MET . . . -57.61 -55.16 38.47 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -178.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.5 ttt -60.82 -41.32 95.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.998 0.427 . . . . 0.0 110.665 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.418 ' HB1' HG22 ' A' ' 116' ' ' VAL . . . -66.82 -43.65 83.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.26 -178.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.531 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -64.88 -35.86 82.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 77' ' ' VAL . 27.8 mm-40 -61.46 -50.88 70.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.717 175.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 78' ' ' VAL . 79.7 t -57.62 -43.02 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.348 . . . . 0.0 110.473 176.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.58 93.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 7.2 tp10 -59.49 -46.59 88.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.194 0.521 . . . . 0.0 110.061 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.62 HG13 ' HB3' ' A' ' 36' ' ' GLN . 54.5 t -56.48 -48.98 79.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.276 178.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 74' ' ' VAL . 91.1 t -65.38 -44.97 94.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.239 -178.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.76 -28.75 68.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.706 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 35.2 m -84.77 76.39 10.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.527 0.679 . . . . 0.0 110.633 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.8 p -160.8 170.45 8.46 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.029 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -58.36 138.62 86.82 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 121.863 1.708 . . . . 0.0 110.234 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.56 -16.32 54.58 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.112 1.875 . . . . 0.0 112.136 -172.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -88.56 -25.73 22.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.301 0.572 . . . . 0.0 110.63 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 89' ' ' VAL . 69.4 m -94.6 -15.18 24.28 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.332 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -51.81 -45.28 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.849 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -61.83 -42.34 98.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.259 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.04 77.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.022 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 85' ' ' SER . 59.1 t -63.42 -46.32 95.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.327 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.77 -49.83 75.29 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.186 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -56.49 -44.15 80.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.065 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.3 m -63.97 -52.78 58.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.879 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.438 HG23 HD13 ' A' ' 97' ' ' LEU . 1.3 mm -63.99 -47.51 90.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.774 178.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.58 -43.53 97.56 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.952 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.59 -35.78 70.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.837 0.351 . . . . 0.0 110.965 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.3 t -81.91 -20.19 39.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.555 -175.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.72 HD12 HD21 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -55.17 -44.26 75.04 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.425 0.631 . . . . 0.0 109.851 173.324 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.525 ' HG3' HG21 ' A' ' 108' ' ' VAL . 71.1 ttt-85 -61.77 -49.27 77.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.721 178.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 14.4 mm-40 -63.36 -49.17 74.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.715 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.2 m -55.03 -45.32 75.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.701 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.418 ' SD ' ' HG3' ' A' ' 18' ' ' MET . 11.8 mmt -60.63 -41.08 94.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.836 0.351 . . . . 0.0 110.859 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 31.3 ttm -70.15 -29.98 67.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.954 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 77.8 mm-40 -80.82 -28.53 36.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.017 0.436 . . . . 0.0 110.521 178.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.59 -50.32 10.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.802 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 44.0 p -109.29 -32.52 7.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 111.603 -175.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.51 -14.93 7.66 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.009 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.3 p -148.5 168.08 23.65 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.525 HG21 ' HG3' ' A' ' 98' ' ' ARG . 3.4 p -94.56 122.05 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.505 0.669 . . . . 0.0 112.122 -173.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -80.8 127.97 33.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.706 174.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -108.32 15.64 23.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.147 0.499 . . . . 0.0 110.756 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -96.5 -48.98 5.33 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.555 ' O ' HG23 ' A' ' 116' ' ' VAL . 88.3 t80 -70.53 -52.16 23.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.186 177.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.607 ' HA ' HD23 ' A' ' 97' ' ' LEU . 42.6 m -54.61 -42.65 71.4 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.304 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -69.33 -40.37 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.553 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -63.31 -42.44 99.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.813 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 112' ' ' PHE . 57.5 t -56.84 -38.14 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.278 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.1 mmt -69.56 -36.07 75.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.239 -175.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -76.18 -40.07 53.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.677 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.49 HD23 ' HE1' ' B' ' 122' ' ' MET . 14.7 mt -55.9 -45.24 78.71 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.002 178.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.0 p -74.22 -36.18 42.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.169 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.04 -44.02 98.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.983 0.421 . . . . 0.0 110.592 177.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.5 ttp -68.41 -36.71 79.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.917 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 36.7 tp -75.33 -22.0 57.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.001 0.429 . . . . 0.0 110.785 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 179.059 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 CA--C 1.532 0.275 0 CA-C-O 121.104 0.478 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . 0.529 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 79.5 m95 -90.24 17.41 7.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.48 -175.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.9 p -69.72 -31.59 69.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.378 0.609 . . . . 0.0 109.614 174.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -120.99 100.97 45.5 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.388 173.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' PRO . . . . . 0.424 ' HB3' HD11 ' B' ' 63' ' ' LEU . 32.6 Cg_endo -64.08 -32.85 63.6 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.351 2.701 . . . . 0.0 113.661 -168.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -71.52 -25.45 62.25 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.282 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.71 -35.09 45.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.429 . . . . 0.0 109.891 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.38 -36.71 83.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.868 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -62.26 -31.24 71.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.231 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 23.1 m -64.32 -36.46 84.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.203 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 1.036 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.9 -44.22 93.61 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.393 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -61.51 -43.47 98.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.714 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -65.9 -52.46 49.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.801 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -64.04 -27.78 69.34 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.41 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.579 HD11 HD12 ' B' ' 97' ' ' LEU . 13.5 tp -65.34 -34.24 77.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.228 0.537 . . . . 0.0 110.504 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.545 HG22 ' HB3' ' B' ' 40' ' ' MET . 58.7 t -76.72 -35.11 24.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.239 178.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -67.15 -40.8 86.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.964 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . 0.473 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 28.7 p -70.84 -30.05 66.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.042 0.449 . . . . 0.0 110.512 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.89 -37.44 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.28 0.562 . . . . 0.0 110.615 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 22.6 t -71.95 -34.55 69.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.732 -178.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.473 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 3.1 ptm180 -74.5 -33.83 62.92 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.774 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.501 ' HB2' HG23 ' B' ' 31' ' ' VAL . 14.2 p -72.16 -50.89 24.2 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.972 0.415 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.13 16.64 76.15 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.626 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.501 HG23 ' HB2' ' B' ' 29' ' ' SER . 14.4 t -72.9 -30.17 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.498 0.666 . . . . 0.0 109.887 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.451 ' N ' HD12 ' B' ' 32' ' ' LEU . 4.6 mp -88.09 158.52 18.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.499 -176.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 44.0 p -87.65 173.07 9.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.144 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.64 -38.55 91.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.802 0.334 . . . . 0.0 111.056 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.4 ' OD2' ' HB3' ' A' ' 61' ' ' HIS . 29.4 t70 -58.99 -45.37 90.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.12 177.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.641 ' HB3' HG13 ' B' ' 77' ' ' VAL . 24.6 mt-30 -68.56 -44.98 73.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.878 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 78.5 mmm -61.12 -41.99 97.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.226 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -65.54 -34.15 77.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.621 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.474 ' O ' ' HG2' ' B' ' 42' ' ' MET . 4.0 t70 -62.99 -45.9 90.24 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.231 0.539 . . . . 0.0 110.36 177.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.545 ' HB3' HG22 ' B' ' 23' ' ' VAL . 86.3 mtp -63.59 -34.46 77.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.536 177.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.69 -45.17 93.6 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.156 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' B' ' 39' ' ' ASP . 22.0 ptt? -70.84 -23.61 62.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.826 0.346 . . . . 0.0 110.179 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . 0.48 ' HB3' ' O ' ' B' ' 40' ' ' MET . 52.5 ttp -60.34 -49.95 75.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.092 174.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.19 95.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -65.85 -42.05 90.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.711 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.5 p -60.01 -47.59 85.22 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.249 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 43' ' ' MET . 21.3 t -57.77 -44.26 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.406 0.622 . . . . 0.0 109.869 176.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.29 -45.6 90.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.782 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.519 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 24.0 m -68.87 -46.36 68.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.374 -177.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -59.78 -37.37 78.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.05 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 79.6 mmm -56.34 -48.47 76.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.501 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -70.64 -24.57 62.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.448 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' B' ' 49' ' ' SER . 3.0 mmmp? -67.53 -37.17 82.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.117 0.484 . . . . 0.0 110.297 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.4 mtm -94.92 -54.17 3.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.772 -173.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.04 -171.79 27.66 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.457 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.5 -40.13 50.05 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.984 2.456 . . . . 0.0 112.65 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -132.04 90.82 34.2 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.937 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.548 ' HG2' HD21 ' B' ' 63' ' ' LEU . 73.7 Cg_endo -75.78 163.44 33.63 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.732 2.288 . . . . 0.0 111.953 175.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.481 ' HG2' ' HD2' ' B' ' 62' ' ' ARG . 10.4 Cg_endo -55.66 122.49 11.84 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.753 2.302 . . . . 0.0 111.781 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . 0.56 ' HA ' HD23 ' B' ' 63' ' ' LEU . 15.3 mm100 -58.15 -26.44 62.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.57 -172.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . 0.514 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 3.8 p80 -65.08 -28.27 69.35 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.323 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.535 ' O ' ' HG2' ' B' ' 66' ' ' MET . 90.9 mtt180 -72.37 -27.09 62.16 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.56 HD23 ' HA ' ' B' ' 60' ' ' GLN . 3.8 mm? -70.93 -40.64 71.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.708 177.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 34.7 ptt180 -67.12 -28.33 68.06 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.129 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.479 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -72.96 -42.92 62.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.687 173.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.535 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 92.0 mmm -56.14 -30.67 62.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 177.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.442 ' HA ' ' CZ2' ' B' ' 9' ' ' TRP . 7.6 t30 -53.76 -45.38 70.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.43 174.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.531 HG22 ' HB1' ' A' ' 72' ' ' ALA . 24.5 m -73.69 -39.61 64.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.847 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.72 -52.9 63.13 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.34 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.7 ttt -59.22 -44.86 92.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.742 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.8 99.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.384 -178.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.597 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -67.44 -37.56 83.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.332 -178.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.48 ' O ' HG23 ' B' ' 77' ' ' VAL . 28.2 mm-40 -59.63 -49.73 76.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.76 176.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.506 ' O ' HG23 ' B' ' 78' ' ' VAL . 78.8 t -58.61 -44.36 89.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.679 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.79 -42.58 93.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.672 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 13.7 tp10 -61.72 -47.97 82.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.093 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.641 HG13 ' HB3' ' B' ' 36' ' ' GLN . 69.9 t -54.58 -47.08 72.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 178.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 74' ' ' VAL . 59.5 t -66.13 -45.49 90.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.694 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.5 -7.04 44.97 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 55.1 m -78.38 -30.35 47.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 110.942 178.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 73.3 p -71.63 152.97 93.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.056 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . 0.425 ' HB2' ' HG2' ' B' ' 84' ' ' GLN . 24.1 Cg_endo -64.36 160.61 38.23 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.474 2.116 . . . . 0.0 110.974 175.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -53.48 -34.29 71.38 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.569 2.18 . . . . 0.0 111.856 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . 0.425 ' HG2' ' HB2' ' B' ' 82' ' ' PRO . 10.9 pt20 -62.55 -32.03 72.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.553 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 23.9 m -105.9 -26.38 11.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.994 -175.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -49.95 -48.95 51.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.13 -176.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -63.48 -44.93 92.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.823 0.344 . . . . 0.0 110.95 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.06 -42.93 83.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.072 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 74.1 t -63.06 -46.42 96.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.183 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -56.85 -48.47 78.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.202 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -59.58 -42.41 92.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.971 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -65.39 -48.9 71.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.616 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.2 mm -64.81 -48.98 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.767 177.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.27 -43.63 84.32 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.83 -177.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' B' ' 99' ' ' GLU . . . -70.65 -38.67 73.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.882 0.372 . . . . 0.0 110.699 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' CYS . . . . . 0.477 ' SG ' HD12 ' B' ' 22' ' ' LEU . 46.6 t -66.3 -32.55 74.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.863 -176.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 1.036 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 6.2 mp -58.46 -39.61 80.38 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.024 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.549 ' HG3' HG21 ' B' ' 108' ' ' VAL . 69.0 ttt-85 -61.95 -48.33 80.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.246 176.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' B' ' 103' ' ' GLN . 4.3 mm-40 -64.24 -50.37 68.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.679 -177.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 72.5 m -57.63 -40.33 78.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.308 -175.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 16.1 mmt -63.73 -39.85 95.32 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.528 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 25.7 ttm -70.74 -25.38 62.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.655 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' B' ' 99' ' ' GLU . 73.6 mm-40 -85.71 -23.25 27.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.881 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.4 -54.56 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.772 -175.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 77.3 p -100.11 -26.05 14.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.148 0.499 . . . . 0.0 110.651 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 101.7 5.19 51.51 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -174.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 25.7 p -150.53 144.65 25.46 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.549 HG21 ' HG3' ' B' ' 98' ' ' ARG . 5.1 p -90.7 129.21 41.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.065 0.46 . . . . 0.0 110.707 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -98.71 140.5 32.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.01 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -95.62 -20.24 19.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.753 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.16 71.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.599 0.238 . . . . 0.0 111.124 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -70.42 -49.12 52.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.338 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.664 ' HA ' HD23 ' B' ' 97' ' ' LEU . 11.3 m -54.58 -45.15 73.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.987 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -67.04 -40.34 87.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.78 0.324 . . . . 0.0 110.775 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -56.54 -48.6 76.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.163 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.522 HG21 HD21 ' B' ' 97' ' ' LEU . 61.4 t -60.85 -35.07 62.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 29.8 mmt -68.55 -40.92 80.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.366 -178.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -68.65 -41.86 78.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.077 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 116' ' ' VAL . 17.8 mt -56.22 -53.23 59.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.564 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.57 -34.78 71.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.617 -172.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -66.95 -34.7 78.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.101 0.477 . . . . 0.0 110.487 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.49 ' HE1' HD23 ' A' ' 119' ' ' LEU . 39.7 ttp -79.0 -35.96 41.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.473 -177.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.52 HD21 HG21 ' A' ' 68' ' ' THR . 5.5 mp -60.93 -34.69 75.11 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.904 0.383 . . . . 0.0 111.974 -176.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 62.6 m -95.75 10.36 37.25 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.228 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 0.0 111.057 -179.355 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.451 ' CG2' HG21 ' A' ' 105' ' ' THR . 9.5 pt . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 120.844 0.354 . . . . 0.0 111.895 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.425 ' CE2' ' HA ' ' A' ' 67' ' ' ASN . 80.4 m95 -81.03 21.17 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.573 -177.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.2 p -78.83 -16.28 57.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.406 0.622 . . . . 0.0 109.565 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.49 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 42.7 m-80 -132.67 116.17 14.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.445 176.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -59.71 -41.07 58.69 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.85 2.367 . . . . 0.0 112.587 -176.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -77.22 -32.3 55.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.375 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 11' ' ' ASN . . . -67.23 -43.38 82.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.135 176.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.78 -41.25 92.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.363 176.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.0 ttm -57.59 -33.77 68.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.781 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.0 m -62.15 -39.88 94.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.272 177.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.891 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -63.94 -41.71 97.53 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.152 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.33 -47.75 84.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.689 178.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 94.3 m-20 -62.02 -46.32 89.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.794 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.53 -32.72 71.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.145 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 97' ' ' LEU . 29.5 mt -63.46 -45.79 89.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.623 0.249 . . . . 0.0 110.746 175.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.34 -40.86 89.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.183 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 75.8 mt-30 -59.82 -51.57 69.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.469 176.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.0 t -62.15 -37.34 84.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.039 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.467 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -71.9 -40.62 68.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.019 0.438 . . . . 0.0 111.3 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.0 t -67.71 -33.97 75.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.288 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 14.8 ptm180 -77.27 -36.93 53.92 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.059 178.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 p -68.66 -47.29 66.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.792 0.329 . . . . 0.0 110.693 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.96 23.61 77.75 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.345 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.9 p -86.59 -17.31 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.196 0.522 . . . . 0.0 110.102 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.467 HD13 ' HB1' ' A' ' 26' ' ' ALA . 5.3 mp -90.87 153.85 19.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.941 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.0 p -83.59 176.39 9.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.045 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.94 -37.46 87.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.87 0.367 . . . . 0.0 110.8 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.26 -61.41 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.388 0.613 . . . . 0.0 109.808 175.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.616 ' HB3' HG13 ' A' ' 77' ' ' VAL . 44.5 mt-30 -57.42 -46.28 83.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.842 -175.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 73.1 mmm -62.72 -38.15 89.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.139 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -78.28 -32.51 49.53 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.569 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.483 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 66.7 m-20 -69.62 -34.39 74.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.99 0.424 . . . . 0.0 109.965 175.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.44 ' O ' ' HB3' ' A' ' 43' ' ' MET . 46.6 mmm -60.56 -39.18 87.03 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.502 0.668 . . . . 0.0 109.856 171.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.52 -45.02 95.75 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.467 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.592 ' SD ' ' HG3' ' B' ' 62' ' ' ARG . 12.2 ptt? -71.15 -22.67 62.02 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 122.614 -0.345 . . . . 0.0 110.626 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.44 ' HB3' ' O ' ' A' ' 40' ' ' MET . 41.9 ttp -60.67 -53.9 51.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 174.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.75 -40.34 96.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.374 176.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.529 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 28.1 t70 -60.45 -41.39 94.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.413 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.2 t -60.18 -50.78 72.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.168 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.44 ' O ' ' HG2' ' A' ' 51' ' ' MET . 44.2 t -57.41 -42.54 80.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.038 0.447 . . . . 0.0 110.501 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -66.18 -54.13 29.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.132 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 16.5 p -64.07 -34.22 77.53 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -175.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.798 ' HB3' HH22 ' A' ' 62' ' ' ARG . 15.2 mm100 -62.06 -37.85 86.58 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.617 175.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 92.1 mmm -70.79 -32.08 69.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.433 178.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -65.37 -38.01 88.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.118 0.485 . . . . 0.0 110.163 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 49' ' ' SER . 40.8 mtmt -73.27 -12.42 60.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.346 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 69.0 mtm -115.68 -161.04 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.968 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.74 -140.19 4.13 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.737 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -79.16 130.46 9.29 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.878 2.386 . . . . 0.0 112.978 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 59.57 94.15 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.403 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.506 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -79.23 163.8 24.83 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.74 2.293 . . . . 0.0 111.871 175.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.49 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 18.5 Cg_endo -61.31 139.34 82.44 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.731 2.288 . . . . 0.0 112.453 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.27 -42.78 99.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.885 -176.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.435 ' CE1' ' HB3' ' B' ' 38' ' ' ASP . 20.5 p80 -59.3 -30.23 68.18 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.138 0.494 . . . . 0.0 110.268 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.798 HH22 ' HB3' ' A' ' 50' ' ' GLN . 67.5 ttt-85 -74.49 -41.59 60.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.142 -177.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.02 -38.48 91.24 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 174.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 64' ' ' ARG . 30.6 ttp180 -57.06 -40.92 77.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.47 174.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.96 67.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.439 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 91.1 mmm -58.34 -31.83 67.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.749 -177.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.425 ' HA ' ' CE2' ' A' ' 9' ' ' TRP . 7.6 t30 -50.05 -56.73 9.63 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.476 0.485 . . . . 0.0 111.577 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.4 m -71.74 -28.47 63.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.443 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.26 -52.29 65.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 110.672 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.8 ttt -64.4 -40.94 96.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.691 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.2 75.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.424 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.14 -34.41 76.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 -177.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.83 -55.93 28.1 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 123.08 0.238 . . . . 0.0 110.867 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 78' ' ' VAL . 53.5 t -56.19 -44.04 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.026 0.441 . . . . 0.0 110.643 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.31 -50.35 73.96 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.808 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.542 ' HB3' HG21 ' B' ' 68' ' ' THR . 3.1 pp20? -68.85 -28.82 67.06 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.604 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.616 HG13 ' HB3' ' A' ' 36' ' ' GLN . 24.3 t -61.41 -46.93 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 172.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 74' ' ' VAL . 95.4 t -63.22 -39.67 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.777 0.322 . . . . 0.0 110.544 176.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.81 2.89 9.08 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.89 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.42 ' HB ' ' HG2' ' A' ' 36' ' ' GLN . 40.4 m -86.7 -13.05 46.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.473 0.654 . . . . 0.0 109.775 174.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.418 ' HB2' ' HA ' ' A' ' 86' ' ' TYR . 3.2 m -73.2 145.55 85.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.684 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.8 155.92 60.9 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.111 1.874 . . . . 0.0 109.664 170.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -56.85 -35.85 98.49 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.372 2.048 . . . . 0.0 112.098 -172.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -69.32 -18.72 63.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.188 -0.914 . . . . 0.0 112.291 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 t -119.33 -3.5 10.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.963 0.411 . . . . 0.0 110.64 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.418 ' HA ' ' HB2' ' A' ' 81' ' ' SER . 38.4 t80 -60.97 -47.79 84.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.191 -177.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -62.82 -41.06 99.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.75 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.14 -49.48 77.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 81.5 t -65.44 -42.39 93.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.48 -52.32 66.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.453 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -57.73 -38.76 75.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.763 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.0 m -63.04 -59.24 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.626 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.481 ' HA ' HD13 ' A' ' 93' ' ' ILE . 0.7 OUTLIER -58.41 -44.15 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 -178.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.46 -41.4 88.26 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.084 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.73 -40.34 72.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.716 0.293 . . . . 0.0 110.841 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.6 m -59.32 -44.05 92.61 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.024 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.891 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 7.6 mp -54.07 -44.12 70.87 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.712 0.291 . . . . 0.0 111.551 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -60.16 -49.17 78.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.128 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -72.9 -42.03 64.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.08 -176.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.3 m -58.4 -35.89 72.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.038 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.415 ' HB3' ' O ' ' A' ' 107' ' ' SER . 9.7 mmt -64.27 -44.33 92.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.805 177.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 29.7 ttm -69.61 -30.07 67.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -80.39 -13.26 59.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.791 0.329 . . . . 0.0 110.922 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.46 -57.95 2.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.784 0.326 . . . . 0.0 111.227 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.451 HG21 ' CG2' ' A' ' 8' ' ' ILE . 82.5 p -109.79 -18.77 13.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.035 0.445 . . . . 0.0 111.293 -175.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.61 5.0 65.26 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.429 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 101' ' ' MET . 32.1 p -141.72 149.99 41.22 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.2 t -96.78 111.84 27.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.765 0.317 . . . . 0.0 110.678 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -81.82 124.85 30.03 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -89.66 -27.61 20.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.976 -175.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.78 -48.39 81.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.794 0.331 . . . . 0.0 110.94 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -69.48 -52.82 23.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.386 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.778 ' HA ' HD23 ' A' ' 97' ' ' LEU . 23.6 m -53.92 -43.45 69.76 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.9 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.551 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 56.9 t30 -69.48 -42.34 74.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.613 0.244 . . . . 0.0 110.754 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.98 -43.58 95.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.95 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' A' ' 119' ' ' LEU . 90.8 t -59.34 -36.62 64.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 120.883 0.373 . . . . 0.0 110.777 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.413 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 27.2 mmt -69.89 -31.77 69.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.21 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 25.7 mm-40 -78.51 -42.14 30.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.275 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.546 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 13.9 mt -54.92 -51.76 65.04 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.734 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.19 -39.27 84.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.609 -174.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 117' ' ' MET . 55.3 mtpt -62.56 -41.8 99.15 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 110.745 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.422 ' HE1' HD23 ' B' ' 119' ' ' LEU . 45.6 ttp -67.68 -39.94 84.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.709 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 91.4 mt -66.85 -40.83 88.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.1 t . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -177.814 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.429 ' CG2' HG21 ' B' ' 105' ' ' THR . 27.2 pt . . . . . 0 N--CA 1.463 0.207 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -81.3 46.85 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.142 0.496 . . . . 0.0 111.736 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.5 p -91.22 -21.68 21.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.347 0.594 . . . . 0.0 109.74 172.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.471 ' HA ' ' HD3' ' B' ' 12' ' ' PRO . 45.9 m-80 -133.8 132.36 21.54 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.533 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 11' ' ' ASN . 16.6 Cg_exo -64.26 -50.02 3.13 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.794 2.329 . . . . 0.0 112.812 -173.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.07 -27.71 61.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.736 -175.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.73 -45.43 78.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.993 0.425 . . . . 0.0 110.446 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.14 -34.21 70.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.052 0.453 . . . . 0.0 110.396 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 46.1 ttm -55.34 -31.89 62.09 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.457 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 48.1 m -62.59 -34.83 77.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.967 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.793 ' HE2' ' HG ' ' B' ' 97' ' ' LEU . 7.5 ttt -65.84 -43.66 87.82 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 175.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -44.85 94.35 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.957 -178.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -68.52 -42.71 78.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -64.9 -29.58 70.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.223 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 18' ' ' MET . 37.5 mt -63.19 -45.74 90.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.747 0.308 . . . . 0.0 110.651 175.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.19 -41.12 91.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.123 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -62.84 -42.74 99.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.542 176.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . 0.589 ' HA ' ' CD ' ' B' ' 28' ' ' ARG . 34.3 t -66.79 -36.59 82.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.05 0.452 . . . . 0.0 110.783 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.501 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -70.47 -38.23 74.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.255 0.55 . . . . 0.0 110.987 176.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 32.8 t -71.8 -31.81 66.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.866 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.589 ' CD ' ' HA ' ' B' ' 25' ' ' CYS . 1.8 ptm180 -81.1 -19.76 42.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.729 0.3 . . . . 0.0 110.7 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.6 p -88.51 -48.42 7.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.821 0.343 . . . . 0.0 110.734 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.0 20.15 73.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.708 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.559 HG13 HD12 ' B' ' 32' ' ' LEU . 10.7 p -86.8 -21.08 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.979 0.419 . . . . 0.0 110.583 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.649 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.9 mp -86.22 152.71 22.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.329 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 80.7 p -90.65 178.29 6.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.407 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.37 -30.52 68.47 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.028 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.62 -64.51 0.92 Allowed 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.772 0.796 . . . . 0.0 109.195 173.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.649 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 40.8 mt-30 -61.25 -41.37 96.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 113.975 -1.466 . . . . 0.0 111.978 -171.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 82.8 mmm -65.89 -33.06 74.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -176.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.435 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 33.9 t70 -78.76 -36.49 42.96 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.21 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.481 ' HA ' ' HG2' ' B' ' 42' ' ' MET . 67.6 m-20 -66.2 -40.64 90.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.929 176.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.621 ' HG2' HG11 ' B' ' 77' ' ' VAL . 61.1 mmm -60.98 -41.67 96.91 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.192 0.52 . . . . 0.0 110.097 172.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.8 -49.15 78.92 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.192 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.599 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 12.8 ptt? -70.42 -20.98 62.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.106 -0.237 . . . . 0.0 110.881 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . 0.418 ' HB3' ' O ' ' B' ' 40' ' ' MET . 45.3 ttp -62.3 -53.41 55.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 173.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.3 98.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.754 175.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.599 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 21.2 t70 -54.74 -43.02 72.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.346 177.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 32.4 t -60.47 -48.71 80.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.636 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 43' ' ' MET . 21.3 t -62.48 -46.48 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.591 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -62.04 -48.33 80.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.121 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.442 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 49.7 p -66.26 -37.0 84.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.14 -175.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -61.77 -31.55 71.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.522 0.201 . . . . 0.0 111.25 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . 0.429 ' SD ' ' HB2' ' B' ' 12' ' ' PRO . 37.2 mtp -72.56 -26.65 61.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 176.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -86.15 -27.47 24.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 49' ' ' SER . 6.5 mmmm -63.79 -39.17 93.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.485 173.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 63.3 mtm -92.44 178.37 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.03 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -118.42 -138.71 5.97 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 176.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.78 147.92 31.7 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.384 2.056 . . . . 0.0 112.191 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 64.47 89.39 0.1 Allowed Pre-proline 0 N--CA 1.466 0.372 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.359 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -86.28 158.53 9.7 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.873 2.382 . . . . 0.0 112.837 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.471 ' HG2' ' CB ' ' B' ' 62' ' ' ARG . 67.4 Cg_endo -76.55 136.81 17.74 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 123.472 2.782 . . . . 0.0 112.638 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -70.59 -39.34 73.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.455 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . 0.472 ' HD1' ' CG ' ' A' ' 39' ' ' ASP . 22.6 p80 -62.33 -28.11 69.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.603 0.24 . . . . 0.0 110.915 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.592 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 14.9 ttm180 -70.94 -37.41 72.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.21 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.44 -37.94 89.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -60.99 -39.1 88.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.906 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.2 -46.67 40.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.143 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 94.6 mmm -59.73 -31.78 69.94 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.313 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -50.82 -54.19 25.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.165 0.507 . . . . 0.0 110.645 175.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.542 HG21 ' HB3' ' A' ' 76' ' ' GLU . 8.0 m -74.78 -30.88 61.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.868 -177.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -59.82 -56.95 15.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.383 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.7 ttt -57.74 -44.03 85.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.044 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.81 92.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.382 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.435 ' HA ' HD13 ' B' ' 119' ' ' LEU . . . -70.94 -33.94 70.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.093 -178.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 44.3 mt-10 -61.38 -52.13 65.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.622 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.482 ' O ' HG23 ' B' ' 78' ' ' VAL . 52.3 t -54.52 -44.91 70.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.109 0.48 . . . . 0.0 110.592 176.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.22 -48.15 82.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.757 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -69.52 -28.38 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.728 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.621 HG11 ' HG2' ' B' ' 40' ' ' MET . 35.2 t -62.08 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 173.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 74' ' ' VAL . 61.0 t -62.88 -40.18 87.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.081 0.467 . . . . 0.0 110.507 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.23 -4.19 27.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.841 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 87.2 m -80.57 -28.83 37.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 110.964 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' B' ' 82' ' ' PRO . 31.3 p -74.5 148.8 85.96 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.964 -178.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 81' ' ' SER . 33.3 Cg_exo -60.06 162.07 17.53 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.203 2.602 . . . . 0.0 111.86 178.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -52.21 -41.1 67.63 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.941 2.427 . . . . 0.0 113.109 -172.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -71.39 -17.27 62.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.49 -175.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 25.9 t -112.33 -8.83 13.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.717 0.294 . . . . 0.0 110.641 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -56.79 -56.53 20.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.731 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -65.54 -35.67 81.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.622 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.1 -47.92 82.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.912 0.387 . . . . 0.0 111.07 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 88.1 t -67.4 -41.95 86.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.092 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -58.49 -50.43 73.77 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.657 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -56.48 -40.77 75.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.579 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.1 m -66.54 -54.05 27.99 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.692 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -59.05 -41.92 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.995 179.567 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.01 -39.57 79.7 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.332 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.83 -37.2 56.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.956 0.408 . . . . 0.0 110.475 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 87.4 m -60.97 -38.33 85.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.605 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.793 ' HG ' ' HE2' ' B' ' 18' ' ' MET . 7.9 mp -60.54 -44.14 96.42 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.811 177.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.482 ' HG3' HG11 ' B' ' 108' ' ' VAL . 42.8 ttt180 -59.75 -47.5 85.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.581 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -65.51 -50.87 63.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.225 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.3 m -55.06 -41.22 71.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.571 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.472 ' HB3' ' O ' ' B' ' 107' ' ' SER . 11.5 mmt -60.26 -45.33 93.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.027 0.441 . . . . 0.0 110.69 177.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 23.2 ttm -66.61 -32.96 74.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.228 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -81.39 -22.29 38.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.845 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.78 -64.32 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.901 0.381 . . . . 0.0 111.255 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.429 HG21 ' CG2' ' B' ' 8' ' ' ILE . 63.5 p -97.6 -31.76 12.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.438 -176.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.01 7.27 38.59 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -174.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . 0.472 ' O ' ' HB3' ' B' ' 101' ' ' MET . 14.0 p -143.05 150.0 38.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.482 HG11 ' HG3' ' B' ' 98' ' ' ARG . 64.1 t -97.56 110.3 25.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.708 0.29 . . . . 0.0 110.806 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -78.82 133.44 37.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.953 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.46 -31.78 15.14 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.078 -177.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.5 63.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.787 0.327 . . . . 0.0 111.417 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -68.1 -49.09 63.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.321 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.732 ' HA ' HD23 ' B' ' 97' ' ' LEU . 22.9 m -58.7 -36.21 73.87 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.773 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -73.79 -41.21 62.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.6 0.238 . . . . 0.0 110.883 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.82 -44.69 93.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -176.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.522 HG21 HD21 ' B' ' 97' ' ' LEU . 69.3 t -60.89 -35.59 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.834 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 28.5 mmt -69.2 -28.6 66.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.69 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -80.41 -44.72 18.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.886 0.374 . . . . 0.0 110.258 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' B' ' 116' ' ' VAL . 16.5 mt -55.07 -48.94 72.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.062 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 8.4 p -66.05 -41.21 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.052 -174.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -68.45 -34.54 76.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.905 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.487 ' HE1' HD23 ' A' ' 119' ' ' LEU . 45.7 ttp -69.52 -38.34 77.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.46 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' B' ' 119' ' ' LEU . 92.1 mt -70.68 -24.01 62.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.169 0.509 . . . . 0.0 110.811 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 46.0 m -103.24 10.15 37.8 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.045 -178.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 121.373 0.606 . . . . 0.0 111.319 -176.592 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 15' ' ' ALA . 5.6 pt . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 120.889 0.376 . . . . 0.0 111.425 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -82.49 25.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.623 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.471 HG23 ' ND2' ' A' ' 11' ' ' ASN . 11.1 t -75.7 -21.36 57.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 171.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.471 ' ND2' HG23 ' A' ' 10' ' ' THR . 47.9 m-80 -134.9 114.0 11.79 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.177 -0.919 . . . . 0.0 108.561 171.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -65.28 -28.49 55.36 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.807 2.338 . . . . 0.0 112.628 -174.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -72.28 -37.94 68.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.752 0.311 . . . . 0.0 110.222 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.14 82.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.118 0.485 . . . . 0.0 110.164 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.449 ' HA ' ' CD1' ' A' ' 8' ' ' ILE . . . -64.97 -41.76 95.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.107 175.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 46.8 ttm -63.02 -28.95 70.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.559 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.6 m -62.34 -40.69 97.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.931 176.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.871 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -63.51 -41.42 98.52 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.105 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.52 -44.78 95.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.054 178.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -72.37 -37.19 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.338 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -62.05 -36.28 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.83 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.5 mt -59.34 -45.12 92.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.708 0.289 . . . . 0.0 110.919 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.8 t -62.91 -41.88 94.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.519 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -67.17 -36.15 81.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.893 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.539 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 39.4 t -68.57 -37.91 80.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.248 0.546 . . . . 0.0 110.335 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.87 -34.39 73.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.772 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.7 t -72.13 -35.82 69.22 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.054 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.539 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 3.5 ptp180 -75.23 -27.85 59.67 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.93 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.439 ' HB2' HG23 ' A' ' 31' ' ' VAL . 28.5 p -81.89 -54.69 5.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.635 0.255 . . . . 0.0 110.555 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.25 28.36 60.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.66 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 ' HB2' ' A' ' 29' ' ' SER . 12.2 t -81.83 -22.32 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.481 0.658 . . . . 0.0 109.92 177.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 32' ' ' LEU . 4.5 mp -94.68 158.7 15.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.517 -175.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.5 p -82.99 172.82 12.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.529 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.96 98.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.629 0.252 . . . . 0.0 111.409 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.89 -37.28 86.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 0.0 110.338 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -69.73 -40.34 76.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.714 177.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 82.9 mmm -66.44 -40.22 89.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.08 0.467 . . . . 0.0 110.843 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.61 -30.51 69.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.022 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -65.36 -46.57 79.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.62 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.55 ' O ' ' HB3' ' A' ' 43' ' ' MET . 89.0 mtp -66.93 -33.16 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.394 176.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.39 -46.63 93.47 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.164 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.515 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 11.7 ptt? -75.88 -15.3 60.23 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.303 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.55 ' HB3' ' O ' ' A' ' 40' ' ' MET . 47.7 ttp -62.0 -51.63 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 171.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.78 84.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.057 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.515 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 19.4 t70 -61.62 -48.06 82.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.706 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 p -64.68 -32.61 74.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 111.416 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 43' ' ' MET . 45.9 t -70.02 -42.16 79.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.942 0.401 . . . . 0.0 110.295 174.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -72.66 -42.1 64.7 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.381 -174.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 8.3 p -62.21 -38.46 89.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -175.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.54 ' HB2' ' NH2' ' A' ' 62' ' ' ARG . 48.0 mt-30 -68.04 -28.28 67.25 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.774 178.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 91.0 mmm -67.64 -31.56 71.64 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 176.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -77.02 -24.57 52.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.033 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.455 ' HE3' ' HB3' ' B' ' 49' ' ' SER . 7.8 mtpm? -78.15 -17.9 56.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.734 175.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 69.4 mtm -113.77 -164.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.501 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -138.4 -153.28 6.17 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.863 -0.685 . . . . 0.0 112.292 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.44 129.97 26.91 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 123.125 2.55 . . . . 0.0 112.366 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 54.56 80.55 0.29 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.247 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -68.15 161.7 43.31 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.784 2.323 . . . . 0.0 111.646 175.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.455 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 14.4 Cg_endo -57.42 118.61 5.51 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.574 2.182 . . . . 0.0 111.472 177.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.411 ' HA ' HD13 ' A' ' 63' ' ' LEU . 14.6 mm100 -58.7 -29.62 66.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.83 -174.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.828 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 9.6 p80 -67.62 -26.83 66.44 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.127 0.489 . . . . 0.0 110.562 178.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.614 ' O ' ' HG2' ' A' ' 66' ' ' MET . 3.2 tmt_? -67.28 -34.96 78.5 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 173.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 60' ' ' GLN . 9.6 mp -69.9 -37.14 75.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.156 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.828 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 32.8 ptt180 -63.3 -39.74 95.43 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.21 84.15 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.821 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.614 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 97.1 mmm -69.18 -28.96 66.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.208 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -58.36 -48.58 80.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.135 0.493 . . . . 0.0 110.041 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.537 HG22 ' HB1' ' B' ' 72' ' ' ALA . 11.6 m -71.11 -36.41 72.15 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.709 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -62.59 -55.2 29.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.185 178.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.9 ttt -55.74 -44.48 77.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.103 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.98 98.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.087 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.562 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -72.55 -32.1 65.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.263 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.564 ' O ' HG23 ' A' ' 77' ' ' VAL . 49.1 mt-10 -62.2 -48.3 80.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.401 177.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.41 -45.39 93.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.998 0.428 . . . . 0.0 110.648 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.404 ' HB1' ' HA ' ' A' ' 120' ' ' VAL . . . -59.94 -40.95 90.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.698 179.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.619 ' HG3' ' HA ' ' B' ' 65' ' ' ALA . 1.3 tm-20 -58.46 -49.09 78.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.58 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 73' ' ' GLU . 78.3 t -56.61 -47.45 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.427 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.89 -37.58 68.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.777 -176.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.44 -16.46 63.49 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -174.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.2 m -83.0 -7.26 59.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.119 0.485 . . . . 0.0 111.234 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.3 m -68.63 153.64 95.57 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.683 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.584 ' HD2' ' HB3' ' A' ' 85' ' ' SER . 44.9 Cg_exo -57.72 161.75 11.96 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.976 2.451 . . . . 0.0 111.22 177.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -61.51 -33.93 86.6 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.149 1.899 . . . . 0.0 111.865 -171.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -90.55 -24.6 20.56 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.733 -176.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.584 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 19.7 t -92.69 -16.93 24.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.241 0.543 . . . . 0.0 110.222 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -54.24 -46.11 72.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.195 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.6 t -64.43 -37.11 86.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.02 -50.2 62.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.952 0.406 . . . . 0.0 110.749 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 63.9 t -62.4 -42.3 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.457 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.73 -49.42 77.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.623 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -59.33 -37.6 78.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.533 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.4 m -64.96 -55.22 20.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.745 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 93' ' ' ILE . 0.8 OUTLIER -61.13 -41.91 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.986 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.75 -41.06 82.08 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.379 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.84 -38.66 67.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.76 0.314 . . . . 0.0 110.612 177.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 99.0 m -59.17 -44.59 92.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.558 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.871 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 8.5 mp -55.2 -41.23 71.69 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.665 0.269 . . . . 0.0 111.577 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.568 ' HG3' HG21 ' A' ' 108' ' ' VAL . 54.4 ttt-85 -62.5 -53.63 51.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.858 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -65.79 -45.73 81.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.871 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.8 m -57.92 -37.3 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.671 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.549 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 10.3 mmt -64.37 -44.76 90.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.772 0.32 . . . . 0.0 110.432 177.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 26.3 ttm -68.12 -31.8 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.058 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -82.57 -13.68 56.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.821 0.344 . . . . 0.0 110.895 177.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.01 -65.26 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.045 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 76.4 p -95.03 -22.0 18.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.057 0.456 . . . . 0.0 111.263 -175.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 102.61 -1.15 49.21 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.4 -175.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.0 m -146.03 157.47 43.86 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.568 HG21 ' HG3' ' A' ' 98' ' ' ARG . 7.6 p -107.33 125.39 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.491 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -87.84 146.49 25.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.769 173.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -105.08 -15.35 15.11 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.236 -177.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.17 -51.8 41.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.655 0.264 . . . . 0.0 110.595 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -66.04 -48.73 70.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.068 0.461 . . . . 0.0 109.946 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.741 ' HA ' HD23 ' A' ' 97' ' ' LEU . 12.1 m -54.33 -44.81 72.38 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.677 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -69.51 -41.62 75.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.333 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -59.24 -45.17 91.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.524 HG21 HD21 ' A' ' 97' ' ' LEU . 67.6 t -61.16 -37.94 78.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.719 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 24.6 mmt -63.26 -34.85 78.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.769 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -73.74 -45.93 48.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.053 0.454 . . . . 0.0 110.161 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 13.6 mt -55.05 -52.9 61.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.553 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.404 ' HA ' ' HB1' ' A' ' 75' ' ' ALA . 13.5 p -63.12 -35.56 72.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.802 -173.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -75.32 -36.85 61.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.768 0.318 . . . . 0.0 110.458 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 37.0 ttp -68.58 -36.2 78.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.372 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 84.0 mt -62.59 -22.03 66.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.823 0.344 . . . . 0.0 111.246 -178.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.324 -0.513 0 CA-C-O 120.935 0.398 . . . . 0.0 110.201 -179.866 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.577 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.6 pp . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -72.63 83.07 1.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.846 0.832 . . . . 0.0 111.271 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.8 m -150.08 -34.68 0.17 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.368 174.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.528 ' HB2' ' HB3' ' B' ' 14' ' ' ALA . 58.6 m-20 -95.31 109.6 45.98 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.694 173.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.32 -45.18 15.88 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.573 2.182 . . . . 0.0 113.233 -170.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -79.88 -25.77 40.53 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.779 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' B' ' 11' ' ' ASN . . . -67.71 -41.64 83.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.953 0.406 . . . . 0.0 109.94 173.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.04 -37.94 87.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.226 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 42.3 ttm -64.17 -28.56 69.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.728 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.5 m -63.46 -36.72 84.67 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 176.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 1.054 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -64.39 -45.66 86.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.068 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.79 -42.4 93.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.538 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -65.63 -50.04 66.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.485 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.15 -33.59 72.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.374 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.419 HD21 ' HA ' ' B' ' 97' ' ' LEU . 24.8 mt -59.29 -51.4 70.12 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.64 0.257 . . . . 0.0 110.439 175.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.34 -43.92 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.602 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 45.9 mt-30 -59.74 -49.17 78.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.719 0.295 . . . . 0.0 110.577 177.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 37.7 t -62.89 -42.75 99.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -178.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.15 -38.54 82.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.173 0.511 . . . . 0.0 111.354 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 26.1 t -70.38 -39.15 74.73 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.951 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 16.0 ptp180 -83.27 -17.43 42.63 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.453 -178.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 26.4 p -79.1 -39.98 32.31 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 171.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.42 27.53 71.27 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.637 174.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 t -84.51 -22.22 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.444 0.64 . . . . 0.0 109.528 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.445 ' N ' HD12 ' B' ' 32' ' ' LEU . 5.0 mp -100.98 153.5 19.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.238 -177.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 63.3 p -84.29 170.61 13.5 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.249 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.06 -29.19 70.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.871 0.367 . . . . 0.0 110.705 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -59.45 -53.8 53.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.391 174.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.572 ' HB3' HG13 ' B' ' 77' ' ' VAL . 51.8 mt-30 -65.1 -43.99 90.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.127 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 80.3 mmm -64.02 -31.57 72.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.657 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.503 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 2.5 t70 -74.13 -35.31 64.1 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -48.36 77.18 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.936 171.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.421 ' O ' ' HB3' ' B' ' 43' ' ' MET . 89.3 mtp -66.41 -36.79 83.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.139 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.41 -44.19 97.98 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.624 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -64.15 -33.81 76.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.962 0.41 . . . . 0.0 110.548 176.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . 0.456 ' O ' HG23 ' B' ' 47' ' ' VAL . 42.8 ttp -58.8 -47.31 85.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.503 177.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.88 94.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.467 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.12 -39.51 82.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.898 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.7 p -65.77 -36.22 82.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 43' ' ' MET . 43.1 t -69.19 -39.13 78.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.168 0.508 . . . . 0.0 109.881 173.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -69.36 -47.93 62.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.304 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.455 ' HB3' ' HE3' ' A' ' 53' ' ' LYS . 7.0 p -59.13 -43.54 92.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.74 -173.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.571 ' HB2' ' NH2' ' B' ' 62' ' ' ARG . 48.3 mt-30 -64.39 -26.35 68.42 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.92 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 83.5 mmm -74.31 -26.5 60.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.896 0.379 . . . . 0.0 110.624 178.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.431 HE21 ' HA ' ' B' ' 49' ' ' SER . 49.0 mt-30 -80.15 -31.6 38.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.29 0.567 . . . . 0.0 109.544 175.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -73.88 -32.86 63.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.392 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 73.0 mtm -91.29 178.81 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.397 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.27 -138.87 4.67 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.196 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.0 126.17 13.48 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.62 2.213 . . . . 0.0 112.56 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 60.64 89.59 0.1 Allowed Pre-proline 0 N--CA 1.467 0.423 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.93 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.69 163.84 31.09 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.96 2.44 . . . . 0.0 111.699 176.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' B' ' 62' ' ' ARG . 20.6 Cg_endo -63.01 135.64 52.38 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.396 2.064 . . . . 0.0 112.007 177.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . 0.441 ' HA ' HE21 ' B' ' 60' ' ' GLN . 0.0 OUTLIER -60.29 -36.44 77.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.796 -176.468 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . 0.829 ' HA ' ' HG2' ' B' ' 64' ' ' ARG . 13.8 p80 -65.66 -21.78 66.58 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.116 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.571 ' NH2' ' HB2' ' B' ' 50' ' ' GLN . 2.3 tmt_? -65.32 -33.98 77.26 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 94.3 mt -74.06 -42.2 60.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.84 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.829 ' HG2' ' HA ' ' B' ' 61' ' ' HIS . 39.2 ptt85 -66.45 -33.32 75.43 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.409 -178.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.619 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . . . -76.63 -45.83 28.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 98.8 mmm -65.58 -24.28 67.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.427 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -54.63 -55.99 23.77 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.547 172.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.562 HG22 ' HB1' ' A' ' 72' ' ' ALA . 17.0 m -72.15 -34.24 68.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.791 -178.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -61.06 -55.33 33.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.793 178.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 18.8 ttt -55.89 -45.46 78.6 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.954 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.82 99.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.28 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.537 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -68.78 -38.04 79.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.453 -178.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.536 ' O ' HG23 ' B' ' 77' ' ' VAL . 49.0 mt-10 -62.82 -45.26 93.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.456 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.45 ' O ' HG23 ' B' ' 78' ' ' VAL . 51.3 t -59.65 -43.81 92.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.664 0.269 . . . . 0.0 110.639 175.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.41 95.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.04 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -59.28 -47.94 83.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.934 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.572 HG13 ' HB3' ' B' ' 36' ' ' GLN . 97.5 t -60.02 -43.16 91.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.485 -179.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 74' ' ' VAL . 69.5 t -69.9 -42.61 79.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.116 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.51 91.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.2 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 24.5 m -79.46 76.14 6.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.33 0.585 . . . . 0.0 110.575 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 77.8 p -154.65 161.42 29.42 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.61 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.79 139.61 86.26 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.121 1.881 . . . . 0.0 111.0 175.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.97 -19.65 66.74 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.585 2.19 . . . . 0.0 112.273 -173.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . 0.445 ' NE2' ' HB2' ' B' ' 85' ' ' SER . 4.7 pp0? -80.67 -17.96 49.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.447 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.445 ' HB2' ' NE2' ' B' ' 84' ' ' GLN . 10.7 t -118.29 -4.34 10.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.967 -177.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -56.1 -48.37 76.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.652 0.263 . . . . 0.0 110.717 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 32.5 t -61.22 -38.13 85.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.96 -51.73 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.729 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.37 -44.02 91.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.46 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.1 -51.43 70.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.357 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -63.4 -37.08 85.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.712 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.6 m -62.35 -54.72 36.34 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.272 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.7 OUTLIER -60.03 -45.08 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.675 178.674 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.54 -44.15 85.73 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.189 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.14 -42.63 75.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.646 0.26 . . . . 0.0 110.748 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 86.7 m -61.42 -34.91 76.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.293 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 1.054 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 3.9 mp -58.09 -46.35 85.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.66 0.267 . . . . 0.0 111.227 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.414 ' HA ' HG23 ' B' ' 108' ' ' VAL . 72.3 ttt-85 -58.94 -48.7 80.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -65.6 -47.45 75.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.722 -177.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 46.5 m -54.12 -46.49 72.18 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.257 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.511 ' SD ' ' HG3' ' B' ' 18' ' ' MET . 16.6 mmt -63.67 -45.02 92.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 111.017 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 22.0 ttm -65.93 -31.33 72.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.416 -176.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -89.7 -13.19 37.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.602 0.239 . . . . 0.0 111.463 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -94.56 -45.66 7.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.006 0.432 . . . . 0.0 111.264 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.577 HG21 ' HB ' ' B' ' 8' ' ' ILE . 62.6 p -108.4 -40.02 5.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.968 0.413 . . . . 0.0 111.142 -177.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 125.07 -7.12 8.17 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 49.9 m -150.45 159.3 44.58 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.414 HG23 ' HA ' ' B' ' 98' ' ' ARG . 3.0 p -88.82 114.92 27.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.206 0.527 . . . . 0.0 111.077 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -68.27 106.32 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.016 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -75.78 -28.14 58.29 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.854 -175.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.41 86.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.008 0.432 . . . . 0.0 110.619 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.435 ' O ' HG23 ' B' ' 116' ' ' VAL . 78.1 t80 -69.41 -50.75 42.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.286 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.676 ' HA ' HD23 ' B' ' 97' ' ' LEU . 19.3 m -56.45 -40.01 74.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.994 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -68.19 -44.49 75.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.785 0.326 . . . . 0.0 110.549 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.78 -45.62 93.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.158 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.465 HG21 HD21 ' B' ' 97' ' ' LEU . 91.5 t -57.34 -37.89 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 111.24 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' B' ' 121' ' ' LYS . 30.0 mmt -68.12 -34.2 75.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.783 -178.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -78.76 -37.42 41.14 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.412 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' B' ' 116' ' ' VAL . 12.6 mt -56.48 -48.9 76.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.204 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.57 -33.79 58.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.509 -175.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' B' ' 117' ' ' MET . 53.2 mtpt -79.5 -25.5 41.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.522 0.201 . . . . 0.0 110.986 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 42.6 ttp -67.93 -37.86 82.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.961 0.41 . . . . 0.0 110.058 175.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.04 -18.31 61.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.273 0.559 . . . . 0.0 109.993 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 21.5 t -104.2 14.77 29.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.4 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 121.594 0.711 . . . . 0.0 111.373 -175.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.527 ' CG2' HG21 ' A' ' 105' ' ' THR . 9.1 pt . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -81.44 22.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.9 m -74.49 -26.42 59.99 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 173.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -128.57 131.98 24.08 Favored Pre-proline 0 C--O 1.233 0.222 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.11 175.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -69.82 -34.04 15.19 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.78 2.32 . . . . 0.0 113.045 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -81.97 -30.49 31.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.982 0.42 . . . . 0.0 109.96 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.71 -48.26 80.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.469 175.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HA ' HD12 ' A' ' 8' ' ' ILE . . . -65.64 -34.81 79.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.99 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.0 ttm -57.09 -31.26 65.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.279 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.6 m -61.9 -36.72 82.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.041 0.448 . . . . 0.0 110.396 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.413 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -67.73 -39.82 84.24 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.421 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -45.58 89.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.587 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.451 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 93.7 m-20 -60.05 -47.08 87.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.857 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -61.2 -37.55 83.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.754 -178.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.749 HD21 HD12 ' A' ' 97' ' ' LEU . 31.5 mt -60.91 -42.12 97.46 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.674 0.274 . . . . 0.0 111.206 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.27 -38.42 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.925 0.393 . . . . 0.0 110.244 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.496 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 25.1 mt-30 -64.7 -47.52 78.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.071 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.45 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 29.7 p -71.75 -34.66 69.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.704 0.288 . . . . 0.0 110.762 -178.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.8 -44.7 92.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.014 0.435 . . . . 0.0 110.777 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -65.86 -31.03 71.75 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.709 -176.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 5.1 ptm180 -90.34 -7.55 53.01 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.5 p -75.36 -50.52 15.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.558 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.59 8.7 76.61 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.846 -177.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.465 HG12 HG22 ' A' ' 89' ' ' VAL . 15.4 t -85.61 -37.27 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.158 0.504 . . . . 0.0 110.688 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 32' ' ' LEU . 6.2 mp -82.8 156.05 23.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.516 -174.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.0 p -89.88 178.91 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.702 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.59 96.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.462 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -54.83 -50.89 67.49 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.97 176.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -65.7 -43.63 88.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.877 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.0 mmm -66.29 -35.83 81.39 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.486 ' OD2' ' HE1' ' B' ' 61' ' ' HIS . 33.1 t70 -70.82 -35.42 72.48 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -63.16 -48.52 78.08 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.163 0.506 . . . . 0.0 109.898 173.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.6 mmm -58.86 -40.35 84.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.524 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.06 -45.42 96.61 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.895 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.434 ' SD ' ' HD3' ' B' ' 62' ' ' ARG . 51.3 ttp -60.34 -34.91 74.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.494 0.187 . . . . 0.0 110.869 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.589 ' O ' HG23 ' A' ' 47' ' ' VAL . 45.8 ttp -59.44 -53.83 53.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.943 0.401 . . . . 0.0 110.801 178.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.72 -33.28 75.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.207 0.527 . . . . 0.0 110.519 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.36 -43.58 85.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.0 p -65.41 -39.29 91.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.981 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 43' ' ' MET . 34.5 t -58.58 -50.74 77.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.904 0.383 . . . . 0.0 109.999 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -64.77 -39.95 94.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.9 m -65.28 -45.01 86.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.308 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.653 ' OE1' ' HB3' ' B' ' 46' ' ' SER . 11.0 mt-30 -75.85 -29.53 58.62 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.456 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.483 ' HB2' ' O ' ' A' ' 47' ' ' VAL . 5.5 tmm? -56.38 -47.25 79.31 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.028 0.442 . . . . 0.0 110.04 173.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -78.71 -26.69 44.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.417 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HB2' ' HA ' ' A' ' 50' ' ' GLN . 24.9 mtpp -61.48 -43.96 97.93 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.057 0.456 . . . . 0.0 110.429 172.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 75.0 mtm -75.14 -39.1 60.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.313 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.15 -161.17 26.45 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.248 175.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.06 134.79 30.38 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.71 2.274 . . . . 0.0 111.804 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.0 m120 57.29 73.46 0.78 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.891 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -81.62 162.69 19.1 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.46 2.107 . . . . 0.0 112.489 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.0 141.51 58.36 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.417 2.078 . . . . 0.0 111.604 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -82.73 -18.63 40.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.469 -172.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.872 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 35.0 p80 -73.38 -30.36 63.24 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.404 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.544 ' O ' ' HG2' ' A' ' 66' ' ' MET . 72.2 mtt180 -71.81 -26.12 62.28 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.246 173.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.6 mt -72.02 -38.54 69.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.674 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.872 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 11.7 ptt180 -62.17 -37.14 84.13 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.525 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -68.97 -36.9 78.41 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.875 177.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.544 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 93.3 mmm -65.12 -32.23 73.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.603 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -52.42 -61.16 2.46 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.104 0.478 . . . . 0.0 111.033 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.57 HG22 ' HB1' ' B' ' 72' ' ' ALA . 95.4 m -73.2 -23.64 60.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.98 -57.5 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 175.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.3 ttt -57.25 -46.02 83.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.645 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.82 -46.29 91.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.622 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.535 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -69.74 -34.79 74.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.441 -176.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 48.9 mt-10 -63.91 -44.59 92.5 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.472 178.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.447 HG23 ' SD ' ' A' ' 43' ' ' MET . 68.2 t -59.23 -48.09 88.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 121.067 0.46 . . . . 0.0 110.523 175.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.38 93.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.065 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.933 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 33.8 tp10 -58.95 -47.94 83.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.575 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 73' ' ' GLU . 71.5 t -54.38 -50.72 55.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.544 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.418 HG22 HG12 ' A' ' 89' ' ' VAL . 59.4 t -67.7 -43.99 86.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.821 -178.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.37 -26.01 68.28 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -176.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.529 HG21 ' HD2' ' B' ' 64' ' ' ARG . 2.7 m -96.84 28.28 3.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.499 0.666 . . . . 0.0 110.812 -177.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.482 ' HB2' ' HA ' ' A' ' 86' ' ' TYR . 32.0 m -84.68 156.05 61.79 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.464 173.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 85' ' ' SER . 37.1 Cg_exo -57.53 152.38 48.19 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 121.724 1.616 . . . . 0.0 110.159 171.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -55.12 -32.46 79.93 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.167 1.911 . . . . 0.0 111.709 -176.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -82.12 -9.94 59.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.013 -177.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.463 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 33.0 t -119.96 -14.11 8.95 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -173.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.482 ' HA ' ' HB2' ' A' ' 81' ' ' SER . 43.3 t80 -49.53 -59.99 3.26 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.217 0.532 . . . . 0.0 111.501 -178.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 m -59.54 -37.72 79.14 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.603 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.84 -47.35 72.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.979 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.465 HG22 HG12 ' A' ' 31' ' ' VAL . 61.5 t -65.2 -40.92 90.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.077 0.465 . . . . 0.0 109.954 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.11 -52.81 64.01 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.772 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -58.61 -39.01 79.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.094 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 73.1 m -61.87 -49.58 75.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.62 -178.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.5 mm -66.76 -47.11 83.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.301 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.73 -29.63 74.46 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.683 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.49 -41.6 32.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.789 0.328 . . . . 0.0 110.349 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 53.7 t -66.7 -37.68 85.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.674 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.749 HD12 HD21 ' A' ' 22' ' ' LEU . 2.3 mp -48.58 -48.78 38.73 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 111.328 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.482 ' HG3' HG21 ' A' ' 108' ' ' VAL . 61.2 ttt180 -61.21 -48.51 81.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.235 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -70.76 -44.2 67.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.058 -176.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.8 m -55.29 -42.23 73.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.425 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.501 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 10.0 mmt -63.81 -42.21 97.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.344 . . . . 0.0 110.941 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 32.9 ttm -72.17 -28.91 63.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.332 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -80.41 -34.19 36.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.917 0.389 . . . . 0.0 110.726 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.08 -48.95 40.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.351 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.527 HG21 ' CG2' ' A' ' 8' ' ' ILE . 62.0 p -111.96 -47.84 3.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.111 0.481 . . . . 0.0 111.332 -175.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 136.39 -14.39 3.97 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 48.9 m -139.26 156.7 46.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.501 ' HA ' ' HB3' ' A' ' 101' ' ' MET . 3.5 p -92.22 117.29 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.17 0.51 . . . . 0.0 111.223 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -79.0 135.86 37.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.214 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -93.14 -23.91 18.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.657 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.56 -45.59 89.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.612 0.244 . . . . 0.0 111.371 -174.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.428 ' O ' HG23 ' A' ' 116' ' ' VAL . 78.9 t80 -75.1 -49.88 18.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.789 0.328 . . . . 0.0 110.615 177.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.607 ' HA ' HD23 ' A' ' 97' ' ' LEU . 30.2 m -57.34 -45.35 84.39 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.504 -176.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -64.73 -43.26 93.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.964 0.411 . . . . 0.0 110.498 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -58.54 -44.31 89.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.745 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.448 ' HA ' HD12 ' A' ' 119' ' ' LEU . 55.1 t -60.15 -38.04 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 178.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.575 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 18.9 mmt -70.52 -38.62 74.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.335 -176.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -73.21 -36.71 66.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.41 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.532 HD23 ' HE1' ' B' ' 122' ' ' MET . 15.6 mt -58.03 -51.23 70.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.883 177.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.8 -30.85 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.806 -173.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 117' ' ' MET . 66.4 mttm -66.23 -45.31 81.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.211 0.529 . . . . 0.0 109.802 175.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.516 ' HE1' HD23 ' B' ' 119' ' ' LEU . 47.8 ttp -68.71 -41.96 78.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.155 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.25 -21.57 65.28 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 111.515 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.6 t . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.275 -177.216 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.499 HG21 HG21 ' B' ' 105' ' ' THR . 25.1 pt . . . . . 0 C--O 1.232 0.146 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -83.45 51.93 2.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.288 0.566 . . . . 0.0 111.729 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 22.2 p -100.27 -49.45 4.26 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.36 171.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -104.46 123.8 39.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.543 175.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -65.32 -27.15 55.67 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.715 2.277 . . . . 0.0 112.44 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -72.42 -39.59 67.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.62 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.12 -45.35 73.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.891 0.377 . . . . 0.0 110.736 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.32 90.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.08 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -63.33 -30.01 71.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.812 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 86.7 m -65.28 -35.62 81.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.589 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.442 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.82 -40.57 96.93 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.277 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -63.88 -46.05 86.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.87 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -66.54 -42.65 86.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.138 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -59.8 -37.14 78.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.05 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.767 HD21 HD12 ' B' ' 97' ' ' LEU . 49.0 mt -61.56 -42.23 98.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.903 177.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.51 -37.92 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.992 0.425 . . . . 0.0 110.358 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -63.35 -52.25 62.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.214 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . 0.462 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 29.3 p -68.78 -37.63 79.45 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.941 -177.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.09 -43.89 97.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.965 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 41.2 t -65.72 -41.51 92.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.462 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 1.2 ptm180 -83.18 -6.46 59.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.762 -175.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.489 ' OG ' HG12 ' B' ' 31' ' ' VAL . 97.0 p -80.6 -42.13 22.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.132 0.491 . . . . 0.0 110.312 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.57 4.81 87.37 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.266 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.737 HG13 HD12 ' B' ' 32' ' ' LEU . 11.3 p -88.53 -22.0 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.628 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.737 HD12 HG13 ' B' ' 31' ' ' VAL . 6.5 mp -95.36 151.41 19.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 175.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 73.2 p -93.41 171.96 8.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.403 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.82 -31.78 71.17 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.725 0.298 . . . . 0.0 110.547 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.97 -58.6 7.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.815 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.579 ' HB3' HG13 ' B' ' 77' ' ' VAL . 48.7 mt-30 -60.96 -39.79 90.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 81.4 mmm -67.05 -30.91 71.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.847 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.465 ' OD2' ' HE1' ' A' ' 61' ' ' HIS . 27.4 t70 -73.41 -36.03 65.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -66.99 -43.85 81.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.905 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.426 ' O ' ' HB3' ' B' ' 43' ' ' MET . 72.5 mmm -57.64 -42.89 84.34 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.281 0.562 . . . . 0.0 110.237 173.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.67 -40.17 97.28 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.18 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 50.9 ttp -63.37 -34.06 76.89 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-O 120.769 0.319 . . . . 0.0 110.434 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . 0.499 ' O ' HG23 ' B' ' 47' ' ' VAL . 41.0 ttp -59.02 -50.3 74.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.038 0.447 . . . . 0.0 110.453 175.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.25 83.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.741 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -68.78 -43.29 76.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.619 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.653 ' HB3' ' OE1' ' A' ' 50' ' ' GLN . 12.5 p -62.29 -47.77 82.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.065 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 43' ' ' MET . 38.3 t -59.01 -40.92 81.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.936 0.398 . . . . 0.0 110.284 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -65.32 -47.59 76.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.422 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' B' ' 52' ' ' GLN . 53.2 m -65.19 -46.64 79.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.172 -177.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -66.22 -32.14 73.38 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.142 -0.223 . . . . 0.0 111.182 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . 0.421 ' HB2' ' O ' ' B' ' 47' ' ' VAL . 4.5 tmm? -57.49 -53.0 63.08 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.062 0.458 . . . . 0.0 110.623 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' B' ' 49' ' ' SER . 7.6 pt20 -73.13 -19.64 61.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.217 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -74.39 -27.92 60.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.211 173.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.5 mtm -83.41 -38.3 22.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.835 0.35 . . . . 0.0 110.632 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.67 -130.92 10.52 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.531 -0.842 . . . . 0.0 113.531 171.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.0 117.39 5.12 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 123.02 2.48 . . . . 0.0 112.989 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 15.1 m120 49.51 78.69 0.39 Allowed Pre-proline 0 N--CA 1.466 0.374 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.509 177.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -54.96 148.1 48.99 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.649 2.232 . . . . 0.0 113.792 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -69.13 123.94 10.83 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.419 2.746 . . . . 0.0 111.668 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . 0.501 ' HA ' ' CG ' ' B' ' 63' ' ' LEU . 4.2 pt20 -72.53 -6.54 44.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -176.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . 0.823 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 33.9 p80 -75.19 -34.24 61.5 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.233 170.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.434 ' HD3' ' SD ' ' A' ' 42' ' ' MET . 72.9 mtt180 -72.68 -28.56 62.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 173.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.501 ' CG ' ' HA ' ' B' ' 60' ' ' GLN . 89.6 mt -67.0 -41.58 86.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.663 175.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.823 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 21.3 ptt180 -61.76 -36.72 81.85 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.933 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -68.34 -42.37 79.39 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.484 177.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.521 ' HA ' ' HB3' ' B' ' 69' ' ' ALA . 96.7 mmm -71.53 -24.52 61.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.34 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -54.11 -55.36 28.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.175 0.512 . . . . 0.0 110.218 174.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.535 HG22 ' HB1' ' A' ' 72' ' ' ALA . 84.8 m -76.33 -24.32 54.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.817 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.566 ' O ' ' HG2' ' B' ' 73' ' ' GLU . . . -62.76 -55.27 28.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.76 0.314 . . . . 0.0 110.154 174.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.5 ttt -57.78 -46.86 83.99 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.653 177.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.5 92.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.199 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.57 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -71.4 -33.82 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.328 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' B' ' 69' ' ' ALA . 9.1 mm-40 -61.8 -50.47 72.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.682 0.277 . . . . 0.0 110.272 177.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.493 ' O ' HG23 ' B' ' 78' ' ' VAL . 88.8 t -58.28 -46.01 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.275 176.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.53 96.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.187 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.525 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 6.3 tp10 -62.69 -45.2 93.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.902 0.382 . . . . 0.0 110.23 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.579 HG13 ' HB3' ' B' ' 36' ' ' GLN . 67.7 t -59.03 -38.44 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.202 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 74' ' ' VAL . 59.3 t -80.59 -45.07 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.407 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.24 -43.33 82.2 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 7.6 m -85.66 69.47 10.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.465 0.65 . . . . 0.0 110.185 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 15.5 m -136.93 164.17 44.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.336 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.47 144.35 73.75 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.062 1.841 . . . . 0.0 110.983 173.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.72 -16.25 53.63 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.449 2.099 . . . . 0.0 112.136 -173.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -91.18 -6.97 52.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.162 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -121.79 -15.07 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.474 -174.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -47.74 -64.68 0.72 Allowed 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 49.7 m -64.85 -26.41 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.643 -175.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.68 -48.79 63.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.001 0.429 . . . . 0.0 110.294 178.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.477 HG12 HG22 ' B' ' 78' ' ' VAL . 59.1 t -64.22 -40.74 90.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.869 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.31 -52.38 65.58 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.909 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -57.84 -39.43 77.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.035 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 59.8 m -64.28 -48.42 75.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.616 -177.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.8 mm -65.78 -46.47 88.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.238 178.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.59 -39.21 96.17 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.702 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.26 -40.28 67.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.719 0.295 . . . . 0.0 110.959 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 48.9 t -69.58 -33.31 72.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.799 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.767 HD12 HD21 ' B' ' 22' ' ' LEU . 0.8 OUTLIER -50.66 -45.33 57.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.405 177.837 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.514 ' HG3' HG21 ' B' ' 108' ' ' VAL . 58.2 ttt180 -62.87 -43.04 99.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.627 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.66 -49.74 50.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 73.2 m -51.38 -43.45 61.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.644 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.478 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 10.7 mmt -64.97 -46.67 80.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.034 0.445 . . . . 0.0 110.912 177.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 25.4 ttm -68.96 -27.48 65.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.541 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -93.66 -6.5 46.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.566 0.222 . . . . 0.0 111.278 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.13 -48.4 5.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.771 0.319 . . . . 0.0 111.132 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.499 HG21 HG21 ' B' ' 8' ' ' ILE . 74.4 p -108.23 -38.3 5.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.398 0.618 . . . . 0.0 110.945 -178.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.78 -21.97 5.53 Favored Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.171 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 17.9 m -130.74 159.88 35.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.514 HG21 ' HG3' ' B' ' 98' ' ' ARG . 5.8 p -100.05 121.24 50.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.151 0.501 . . . . 0.0 111.538 -177.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.11 137.23 34.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.15 173.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -94.7 -23.06 17.73 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.356 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.83 -55.59 28.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.798 0.332 . . . . 0.0 110.738 -175.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.48 ' O ' HG23 ' B' ' 116' ' ' VAL . 83.2 t80 -66.19 -44.13 84.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.335 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.565 ' HA ' HD23 ' B' ' 97' ' ' LEU . 46.6 m -59.66 -46.65 88.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.31 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -66.81 -40.41 88.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -57.45 -47.92 80.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.764 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 112' ' ' PHE . 58.2 t -60.0 -37.31 71.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.066 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 17.7 mmt -68.71 -38.91 80.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -75.12 -35.56 61.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.42 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.516 HD23 ' HE1' ' A' ' 122' ' ' MET . 13.3 mt -59.22 -51.71 68.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.113 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 p -65.72 -31.1 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.617 -174.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -69.38 -40.51 77.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.085 0.469 . . . . 0.0 110.337 177.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.532 ' HE1' HD23 ' A' ' 119' ' ' LEU . 47.9 ttp -72.0 -42.66 66.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.784 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.11 -27.67 69.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.818 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 32.1 t -98.93 6.26 46.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.389 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 C-N-CA 120.466 -0.494 . . . . 0.0 112.062 -178.455 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.4 pt . . . . . 0 CA--C 1.534 0.339 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.441 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 60.4 m95 -80.66 10.47 4.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.871 -177.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 m -64.08 -29.94 71.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.509 0.671 . . . . 0.0 109.24 172.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.408 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 49.8 t-20 -115.03 116.25 42.64 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.872 175.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -69.46 -21.15 35.31 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.832 2.354 . . . . 0.0 112.471 -174.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -85.61 -44.11 12.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.054 0.454 . . . . 0.0 109.792 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.408 ' HB3' ' HB3' ' A' ' 11' ' ' ASN . . . -65.19 -41.61 94.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.927 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' A' ' 9' ' ' TRP . . . -64.43 -40.49 95.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.389 177.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 40.9 ttm -63.24 -27.15 69.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.419 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.1 m -65.18 -40.59 94.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.268 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.418 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -62.32 -40.66 97.07 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.477 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -61.64 -46.34 90.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.874 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -70.31 -40.14 74.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.219 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -59.44 -36.89 76.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.619 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.808 HD21 HD12 ' A' ' 97' ' ' LEU . 40.0 mt -60.34 -48.08 83.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.784 176.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.82 -42.41 92.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.704 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -63.54 -43.42 97.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.726 177.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.519 ' HA ' ' HD2' ' A' ' 28' ' ' ARG . 19.4 t -69.21 -36.97 77.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.875 -178.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.36 -38.61 81.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.154 0.502 . . . . 0.0 110.612 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.6 t -67.81 -38.94 83.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.118 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.519 ' HD2' ' HA ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER -76.78 -17.83 58.8 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.994 -177.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 p -90.17 -49.24 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.712 0.291 . . . . 0.0 110.554 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.83 22.39 64.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.032 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.443 HG12 HG22 ' A' ' 89' ' ' VAL . 11.5 t -81.72 -25.33 9.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.238 0.542 . . . . 0.0 110.159 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 32' ' ' LEU . 5.8 mp -90.25 156.41 18.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.726 -176.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.8 p -86.74 178.67 6.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.734 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.06 97.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.09 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.506 ' OD1' ' HB3' ' B' ' 61' ' ' HIS . 17.8 t70 -64.99 -39.82 94.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.509 -178.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 55.1 mt-30 -66.97 -46.88 73.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 177.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 83.7 mmm -64.77 -41.74 95.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.64 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -65.71 -32.37 73.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.007 0.432 . . . . 0.0 110.207 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.74 -46.58 78.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.242 0.544 . . . . 0.0 109.816 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 43.8 mmm -59.3 -39.38 82.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.338 175.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.45 -49.01 73.26 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.576 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.4 ptt? -70.81 -23.62 62.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.962 0.381 . . . . 0.0 110.225 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 43.5 ttp -59.69 -53.57 56.5 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.082 0.468 . . . . 0.0 109.852 174.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.07 92.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.783 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.61 -37.94 89.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.3 m -60.62 -44.96 95.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.9 t -67.61 -40.96 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.341 0.591 . . . . 0.0 110.241 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -63.25 -46.67 85.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.922 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.45 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 13.2 p -64.72 -45.21 87.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.525 -175.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.432 ' NE2' HH21 ' A' ' 62' ' ' ARG . 61.8 mt-30 -59.01 -44.98 91.77 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.782 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -55.37 -46.22 76.51 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.773 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -69.25 -34.25 74.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.23 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 49' ' ' SER . 26.3 mtpp -72.7 -39.03 67.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.186 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.673 ' SD ' ' HD3' ' A' ' 62' ' ' ARG . 74.2 mtm -75.98 -41.29 51.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 178.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.97 -150.34 21.43 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.463 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.18 142.27 27.13 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.724 2.283 . . . . 0.0 112.16 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.8 m120 61.15 72.64 0.67 Allowed Pre-proline 0 N--CA 1.467 0.4 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.391 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -87.52 161.71 8.04 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.981 2.454 . . . . 0.0 112.143 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.423 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 28.0 Cg_endo -63.16 123.14 11.66 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.902 2.401 . . . . 0.0 111.869 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.499 ' OE1' HD12 ' A' ' 63' ' ' LEU . 13.4 mm-40 -65.57 -29.13 69.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.95 -174.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -69.08 -26.41 64.93 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.077 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.673 ' HD3' ' SD ' ' A' ' 54' ' ' MET . 59.2 ttt180 -76.02 -30.74 58.59 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.499 HD12 ' OE1' ' A' ' 60' ' ' GLN . 67.2 mt -71.64 -36.08 70.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.514 173.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.73 HH11 ' HG2' ' A' ' 64' ' ' ARG . 22.5 ttp85 -57.97 -43.48 86.5 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.08 171.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.621 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -62.19 -47.94 82.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.61 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.461 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 99.1 mmm -68.88 -21.66 64.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.464 -176.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 64' ' ' ARG . 5.2 t30 -58.82 -50.0 75.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.108 0.48 . . . . 0.0 110.233 172.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.494 HG22 ' HB1' ' B' ' 72' ' ' ALA . 6.2 m -69.97 -38.43 76.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.303 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.68 -50.31 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.22 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.7 ttt -59.82 -45.74 91.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.23 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.87 95.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.172 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.47 94.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.801 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.601 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 16.8 mm-40 -60.63 -54.88 40.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.561 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 78' ' ' VAL . 61.1 t -55.12 -44.54 74.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.966 0.412 . . . . 0.0 110.723 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.72 92.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.473 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -71.53 -28.13 63.67 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.343 -178.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 73' ' ' GLU . 44.1 t -62.14 -48.14 89.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 172.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 74' ' ' VAL . 67.6 t -66.02 -42.37 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.011 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.24 -26.92 68.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.713 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.7 m -87.28 76.37 9.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.191 0.52 . . . . 0.0 110.232 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.5 p -160.67 164.12 19.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.674 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -62.0 137.04 64.63 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.254 1.97 . . . . 0.0 110.98 173.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.07 -13.01 37.92 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.619 2.213 . . . . 0.0 112.373 -172.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -82.32 -14.7 54.92 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.934 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.0 t -126.51 2.76 6.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.135 0.493 . . . . 0.0 110.491 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -59.52 -41.55 90.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.163 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 t -67.17 -34.22 77.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.277 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.43 65.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.545 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.443 HG22 HG12 ' A' ' 31' ' ' VAL . 48.0 t -62.02 -42.88 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.302 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.72 -53.02 62.5 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.68 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -57.92 -35.74 71.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.962 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.5 m -64.27 -54.6 30.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.376 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.482 HG23 HD13 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -60.0 -43.16 91.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.894 177.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.09 -41.95 94.86 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.188 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.22 68.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.692 0.282 . . . . 0.0 110.803 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.434 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 73.1 m -65.23 -29.59 70.4 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.171 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.808 HD12 HD21 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -56.69 -47.16 80.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.142 0.496 . . . . 0.0 110.265 176.344 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.419 ' HG3' HG11 ' A' ' 108' ' ' VAL . 33.5 ttt180 -59.43 -51.57 69.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.998 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.434 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 7.3 pt-20 -75.89 -27.19 57.61 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -175.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.8 m -61.2 -41.68 97.25 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.252 175.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.1 mmt -67.39 -40.34 85.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.078 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.8 tpp -61.75 -39.86 93.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.211 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 15.5 mm100 -79.79 -25.92 40.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.75 0.309 . . . . 0.0 111.051 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.43 -64.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -176.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 61.4 p -96.29 -25.9 15.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.91 0.386 . . . . 0.0 110.919 -175.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.3 4.2 58.49 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -175.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.2 m -138.54 144.3 39.84 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.419 HG11 ' HG3' ' A' ' 98' ' ' ARG . 58.7 t -88.54 104.48 14.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.797 0.332 . . . . 0.0 111.25 -178.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -80.99 131.18 35.29 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 170.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.447 ' HA ' ' HB ' ' A' ' 113' ' ' THR . 8.0 t30 -106.91 -4.9 18.65 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.87 -53.39 18.26 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.426 ' O ' HG23 ' A' ' 116' ' ' VAL . 85.4 t80 -66.02 -42.01 90.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.156 175.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.59 ' HA ' HD23 ' A' ' 97' ' ' LEU . 69.2 m -58.53 -48.8 79.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.55 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -65.92 -38.7 89.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.758 0.314 . . . . 0.0 110.283 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.3 -46.87 76.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.597 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 112' ' ' PHE . 61.2 t -64.58 -34.79 72.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 28.3 mmt -70.32 -34.68 72.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.135 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -74.05 -39.43 63.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.96 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 116' ' ' VAL . 12.4 mt -58.09 -54.99 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.098 178.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.52 -30.76 50.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.391 -174.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -74.47 -34.78 63.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.694 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 43.6 ttp -66.51 -43.03 86.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.758 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -67.76 -21.99 65.23 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.967 0.413 . . . . 0.0 110.851 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.402 -176.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' B' ' 15' ' ' ALA . 1.4 pt . . . . . 0 N--CA 1.461 0.116 0 CA-C-O 121.012 0.434 . . . . 0.0 111.708 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . 0.781 ' HA ' ' HB2' ' B' ' 15' ' ' ALA . 49.6 m95 -75.43 10.39 1.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.379 178.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.7 m -57.33 -34.14 68.45 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.395 0.617 . . . . 0.0 110.162 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.562 ' HB2' ' HB3' ' B' ' 14' ' ' ALA . 2.3 m-20 -113.82 124.32 31.3 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 171.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -64.44 -32.43 60.16 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.639 2.226 . . . . 0.0 112.441 -175.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -81.5 -39.8 24.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.838 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' B' ' 11' ' ' ASN . . . -63.95 -42.33 97.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.689 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.781 ' HB2' ' HA ' ' B' ' 9' ' ' TRP . . . -65.83 -41.4 91.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.134 0.493 . . . . 0.0 110.685 176.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 47.4 ttm -61.03 -25.96 67.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.83 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 42.2 m -64.08 -39.59 94.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.195 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.97 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -62.55 -43.95 97.54 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.013 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -62.63 -44.01 97.37 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -71.31 -45.8 62.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.731 -177.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -65.05 -30.51 71.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.756 0.312 . . . . 0.0 110.519 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.768 HD11 HD12 ' B' ' 97' ' ' LEU . 12.8 tp -59.45 -47.58 84.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.205 177.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.529 HG22 ' HB3' ' B' ' 40' ' ' MET . 61.9 t -64.79 -40.81 90.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.545 178.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -63.53 -36.48 83.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.086 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 49.3 t -69.09 -40.27 78.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.878 0.371 . . . . 0.0 110.364 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.69 -33.93 74.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.517 0.675 . . . . 0.0 110.67 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 34.3 t -67.59 -34.95 78.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.325 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -89.13 -10.71 46.23 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.4 ' HB2' HG23 ' B' ' 31' ' ' VAL . 18.1 p -89.58 -41.92 11.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.014 0.435 . . . . 0.0 110.195 177.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.79 18.87 79.68 Favored Glycine 0 C--N 1.33 0.218 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.117 174.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' B' ' 29' ' ' SER . 14.0 t -78.95 -28.97 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.367 0.603 . . . . 0.0 110.292 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.457 ' N ' HD12 ' B' ' 32' ' ' LEU . 6.0 mp -86.47 156.57 20.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.01 -173.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 55.0 p -86.94 177.85 7.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.749 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.23 96.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.61 -47.06 85.42 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.24 0.543 . . . . 0.0 109.882 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.612 ' HB3' HG13 ' B' ' 77' ' ' VAL . 53.0 mt-30 -63.65 -47.9 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.149 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 82.3 mmm -65.49 -38.91 91.15 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -70.45 -30.27 67.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.831 0.348 . . . . 0.0 110.261 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.462 ' HB3' HG22 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -65.33 -43.73 90.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.572 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.529 ' HB3' HG22 ' B' ' 23' ' ' VAL . 63.3 mmm -61.81 -47.61 84.33 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.697 176.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.91 -41.06 99.61 Favored Glycine 0 C--N 1.331 0.265 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.052 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -61.4 -42.98 99.59 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.725 0.298 . . . . 0.0 110.508 176.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . 0.522 ' O ' HG23 ' B' ' 47' ' ' VAL . 47.3 ttp -52.71 -54.0 39.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.79 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.35 79.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.337 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.32 -39.03 71.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.005 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -66.56 -37.85 85.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.885 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.543 ' O ' ' HG2' ' B' ' 51' ' ' MET . 42.6 t -65.79 -40.48 87.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -65.15 -53.15 49.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.186 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 13.1 p -62.89 -41.18 99.32 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.824 -175.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -64.03 -32.81 74.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.576 0.227 . . . . 0.0 111.06 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' B' ' 47' ' ' VAL . 83.4 mmm -75.41 -25.4 57.55 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.771 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -69.07 -37.4 78.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.232 0.539 . . . . 0.0 109.81 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -66.35 -50.31 64.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.894 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.6 mtm -87.17 -39.51 15.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.86 -173.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.4 -164.68 43.91 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.126 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -69.59 155.84 65.4 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.584 2.189 . . . . 0.0 112.125 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.445 HD22 ' HA ' ' B' ' 57' ' ' ASN . 10.2 m120 61.61 74.47 0.5 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.881 -179.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -96.78 178.94 0.49 Allowed 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.439 2.76 . . . . 0.0 110.96 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.664 ' O ' ' HB3' ' B' ' 62' ' ' ARG . 19.4 Cg_endo -63.62 147.43 92.85 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 121.653 1.568 . . . . 0.0 110.996 172.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -65.91 -37.28 85.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.784 0.326 . . . . 0.0 111.607 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . 0.515 ' HA ' ' HB3' ' B' ' 64' ' ' ARG . 13.9 p80 -66.92 -20.92 65.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.636 0.255 . . . . 0.0 110.672 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.664 ' HB3' ' O ' ' B' ' 59' ' ' PRO . 20.6 tpt180 -58.03 -45.22 87.3 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.462 HD13 ' O ' ' B' ' 9' ' ' TRP . 49.6 mt -73.06 -40.2 65.26 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.976 178.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.515 ' HB3' ' HA ' ' B' ' 61' ' ' HIS . 57.7 ttp85 -56.17 -46.76 79.22 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.454 178.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.41 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -75.0 -44.21 49.45 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -176.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 99.4 mmm -62.1 -26.91 68.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.173 -176.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -55.55 -51.52 66.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.107 0.48 . . . . 0.0 109.901 172.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.472 HG21 ' HB3' ' A' ' 76' ' ' GLU . 7.5 m -69.21 -39.03 78.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.698 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -58.75 -50.24 74.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.99 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 21.9 ttt -58.72 -45.71 88.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.193 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.37 94.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.402 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.494 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -64.8 -37.34 87.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' B' ' 76' ' ' GLU . 45.6 mt-10 -63.94 -39.59 94.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.901 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.82 -44.3 85.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.99 0.424 . . . . 0.0 110.955 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.42 99.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.54 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.621 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 17.3 pt-20 -64.15 -35.78 81.88 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.612 HG13 ' HB3' ' B' ' 36' ' ' GLN . 46.7 t -60.99 -46.45 96.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.316 177.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 56.9 t -65.9 -43.81 92.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.886 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.53 -25.98 66.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.987 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 21.8 m -86.57 73.77 10.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.445 0.64 . . . . 0.0 110.505 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 78.8 p -162.96 159.86 18.95 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.288 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . 0.47 ' HB2' ' HG2' ' B' ' 84' ' ' GLN . 26.6 Cg_exo -63.55 147.03 93.27 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.223 1.948 . . . . 0.0 110.959 174.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 82' ' ' PRO . 21.0 Cg_exo -55.65 -31.74 80.72 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.61 2.206 . . . . 0.0 112.047 -175.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . 0.47 ' HG2' ' HB2' ' B' ' 82' ' ' PRO . 20.8 pt20 -62.71 -28.3 69.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.555 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.423 ' O ' HG23 ' B' ' 89' ' ' VAL . 12.3 p -112.24 -8.7 13.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.531 -177.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -55.45 -51.31 67.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.832 -176.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 7.7 t -67.71 -35.26 78.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.938 0.399 . . . . 0.0 110.017 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.63 69.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.918 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 85' ' ' SER . 98.7 t -61.39 -41.16 88.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.137 0.494 . . . . 0.0 110.17 178.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.61 -52.43 65.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.448 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.63 -33.31 73.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.913 -179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 70.6 m -64.7 -56.48 13.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.17 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.8 OUTLIER -59.39 -44.45 92.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 179.478 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.0 -32.1 62.21 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 121.291 -0.48 . . . . 0.0 112.82 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.98 -39.2 20.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.688 0.28 . . . . 0.0 110.927 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' CYS . . . . . 0.504 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 72.3 m -63.77 -34.82 78.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.601 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.97 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 5.9 mp -60.15 -43.42 95.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.99 0.424 . . . . 0.0 110.732 178.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -59.56 -46.84 87.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.98 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.504 ' HG2' ' HA ' ' B' ' 96' ' ' CYS . 12.3 pt-20 -75.29 -32.9 61.14 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.444 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 54.9 m -63.0 -37.75 88.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.612 0.244 . . . . 0.0 110.531 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.446 ' HE1' ' HG3' ' B' ' 18' ' ' MET . 20.5 mmt -67.34 -42.21 83.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.956 0.407 . . . . 0.0 110.268 176.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . 0.404 ' HE1' HG23 ' B' ' 108' ' ' VAL . 51.1 tpp -60.31 -37.09 79.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.849 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -89.64 -4.09 57.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.88 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -105.96 -56.81 2.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.784 0.326 . . . . 0.0 111.435 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 75.3 p -101.6 -31.5 10.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.135 0.493 . . . . 0.0 110.9 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.32 -0.37 40.51 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.495 -176.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.2 m -135.33 161.0 36.64 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.404 HG23 ' HE1' ' B' ' 102' ' ' MET . 89.8 t -103.33 105.69 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.88 0.372 . . . . 0.0 111.212 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -88.05 115.64 25.66 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 171.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -95.66 -0.86 51.18 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.961 0.41 . . . . 0.0 110.005 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.07 -51.77 35.35 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -64.77 -47.92 76.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.798 175.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.627 ' HA ' HD23 ' B' ' 97' ' ' LEU . 20.2 m -53.39 -44.51 68.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.567 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -70.02 -35.74 74.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.666 0.27 . . . . 0.0 110.683 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -57.33 -44.99 84.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.272 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.473 HG21 HD21 ' B' ' 97' ' ' LEU . 59.3 t -63.31 -34.78 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.966 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . 0.419 ' O ' ' HG3' ' B' ' 121' ' ' LYS . 29.5 mmt -68.78 -37.18 79.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.077 -178.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -71.92 -41.89 67.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.358 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' B' ' 116' ' ' VAL . 13.2 mt -55.99 -51.58 67.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.342 178.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.34 -28.1 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.631 -174.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' B' ' 117' ' ' MET . 68.9 mttm -76.08 -36.44 58.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.809 0.338 . . . . 0.0 110.323 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 43.5 ttp -64.29 -39.08 93.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.566 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.98 -24.62 64.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.215 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 16.6 t -92.58 0.76 57.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.201 0.524 . . . . 0.0 110.591 -177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.587 0 CA-C-O 121.052 0.453 . . . . 0.0 110.775 -179.062 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.447 HG21 HG21 ' A' ' 105' ' ' THR . 11.8 pt . . . . . 0 CA--C 1.531 0.237 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -80.77 72.3 7.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.478 0.656 . . . . 0.0 111.85 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.7 p -117.88 -26.22 6.54 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.51 170.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -128.73 131.53 23.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.983 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.6 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 12.5 Cg_exo -63.67 -43.21 17.6 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.631 2.221 . . . . 0.0 112.231 -178.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -67.12 -38.39 85.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.943 0.401 . . . . 0.0 110.742 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.36 99.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.542 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.69 76.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.902 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.44 ' CE ' ' HA ' ' A' ' 48' ' ' ASN . 43.5 ttm -58.04 -33.06 68.58 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.1 m -61.42 -37.37 83.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.97 0.414 . . . . 0.0 110.281 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.879 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -67.51 -41.99 83.57 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 176.103 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -62.19 -42.27 99.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.006 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -68.91 -48.42 63.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.727 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.404 ' HA ' HE21 ' A' ' 24' ' ' GLN . 94.7 m-20 -59.97 -33.56 72.1 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.075 0.464 . . . . 0.0 110.599 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.507 HD11 HD12 ' A' ' 97' ' ' LEU . 16.6 tp -64.58 -33.02 74.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.071 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.9 t -77.4 -39.85 28.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.3 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 51.6 mt-30 -58.97 -44.62 91.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.783 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 24.1 p -68.91 -40.75 78.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.357 . . . . 0.0 110.603 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -62.16 -40.69 96.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.366 0.603 . . . . 0.0 110.678 178.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.4 t -61.93 -43.61 98.48 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.552 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.4 ptp180 -85.04 -27.26 26.5 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.4 p -65.05 -40.04 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.367 . . . . 0.0 110.503 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.45 6.76 88.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.538 173.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.906 HG23 HD12 ' A' ' 32' ' ' LEU . 6.5 m -77.42 -18.45 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 117.103 0.451 . . . . 0.0 111.277 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.906 HD12 HG23 ' A' ' 31' ' ' VAL . 5.7 mp -101.61 150.04 23.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.425 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.2 p -86.62 177.77 7.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.727 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.75 -32.92 74.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.98 0.419 . . . . 0.0 110.587 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.77 -52.9 54.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.863 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.453 ' HB3' HD23 ' A' ' 32' ' ' LEU . 52.8 mt-30 -61.9 -38.74 89.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.166 -177.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.7 mmm -65.58 -33.78 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.83 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.433 ' HB3' ' CE1' ' B' ' 61' ' ' HIS . 39.1 t70 -82.12 -25.12 34.69 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.31 178.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 42' ' ' MET . 74.8 m-20 -63.21 -51.34 66.69 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.522 ' O ' ' HB3' ' A' ' 43' ' ' MET . 84.5 mtp -67.71 -23.75 65.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.2 174.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.91 -46.23 92.11 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.991 -0.623 . . . . 0.0 111.751 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 22.5 ptt? -71.76 -20.79 61.83 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.208 178.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.522 ' HB3' ' O ' ' A' ' 40' ' ' MET . 49.7 ttp -59.45 -54.0 51.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.171 0.51 . . . . 0.0 110.1 171.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.36 74.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.526 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.417 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 35.7 t70 -71.57 -39.26 70.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.615 -179.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 p -66.3 -38.57 88.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.649 0.262 . . . . 0.0 110.75 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 43' ' ' MET . 21.8 t -66.66 -39.46 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.343 0.592 . . . . 0.0 110.031 175.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 43.0 t-20 -68.51 -48.96 63.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.065 -178.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 12.4 p -60.52 -36.84 79.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -177.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -60.42 -39.33 87.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.256 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.6 ' SD ' ' HB2' ' A' ' 12' ' ' PRO . 57.3 mtp -68.89 -29.09 67.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.72 0.295 . . . . 0.0 110.687 178.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -75.38 -31.89 60.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.224 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 49' ' ' SER . 72.4 mmtt -73.43 -52.24 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.658 177.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.576 ' SD ' ' HD2' ' A' ' 62' ' ' ARG . 72.9 mtm -82.13 -78.78 0.19 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.342 -177.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.87 -152.01 21.97 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.308 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -85.84 -0.65 8.67 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.147 2.565 . . . . 0.0 113.646 -175.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -138.3 68.25 47.07 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-O 120.882 0.372 . . . . 0.0 110.833 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -84.24 163.23 13.2 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.992 2.461 . . . . 0.0 112.77 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.406 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 36.9 Cg_endo -67.41 137.19 42.35 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.585 2.19 . . . . 0.0 111.811 176.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -65.8 -37.94 87.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.848 -176.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.48 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 21.6 p80 -63.12 -25.88 68.56 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.941 0.4 . . . . 0.0 110.916 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.679 ' HG3' ' SD ' ' B' ' 42' ' ' MET . 32.1 ttm180 -68.33 -36.88 79.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.36 -34.37 74.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.803 175.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.64 ' HD2' HG21 ' B' ' 80' ' ' THR . 30.5 ttp85 -56.38 -45.97 80.28 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.507 174.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.486 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -72.36 -38.0 68.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 89.8 mmm -64.35 -25.48 68.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.716 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -55.19 -49.81 70.96 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.301 0.376 . . . . 0.0 110.744 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.2 m -76.56 -30.33 57.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.936 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.48 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -58.71 -58.62 7.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.654 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.5 ttt -58.82 -40.57 84.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.753 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.76 80.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.451 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.472 ' HB1' ' OE2' ' A' ' 76' ' ' GLU . . . -71.92 -29.11 63.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.152 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 35.9 mt-10 -64.03 -18.01 63.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.783 -0.19 . . . . 0.0 110.952 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.4 t -92.86 -47.77 13.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.923 0.392 . . . . 0.0 110.765 173.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.33 -53.03 56.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.46 -174.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.58 ' HG2' ' HB ' ' B' ' 68' ' ' THR . 1.9 mp0 -61.46 -31.67 71.64 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.44 ' O ' HG22 ' A' ' 80' ' ' THR . 76.9 t -66.31 -35.27 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.161 0.505 . . . . 0.0 110.271 176.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.423 HG22 HG12 ' A' ' 89' ' ' VAL . 48.1 t -73.34 -43.14 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.715 177.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.447 ' HB2' HG23 ' A' ' 120' ' ' VAL . . . -74.16 -14.4 60.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -175.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 77' ' ' VAL . 6.0 t -90.26 1.93 55.98 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.046 0.45 . . . . 0.0 111.275 -176.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.6 p -88.4 163.53 36.04 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.524 -178.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -58.75 159.87 19.48 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.717 2.278 . . . . 0.0 111.549 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.65 -27.77 69.05 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.163 1.909 . . . . 0.0 111.651 -175.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -78.68 -21.56 48.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.751 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.406 ' O ' HG23 ' A' ' 89' ' ' VAL . 7.7 t -100.86 -23.48 14.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.315 -176.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -48.02 -61.28 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.599 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.3 m -60.72 -36.03 77.81 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.261 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.8 -45.26 83.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.738 0.304 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.423 HG12 HG22 ' A' ' 78' ' ' VAL . 57.4 t -72.15 -43.63 66.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.435 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -56.63 -51.04 70.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.449 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -59.05 -45.12 91.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.8 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.1 m -63.28 -49.51 73.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.993 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.2 mm -64.74 -49.56 79.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.782 178.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.43 -41.81 73.36 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.32 -0.467 . . . . 0.0 112.628 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.99 -39.14 66.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.66 0.267 . . . . 0.0 110.848 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.411 ' SG ' HD12 ' A' ' 22' ' ' LEU . 45.0 t -68.52 -30.52 69.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.831 -175.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.879 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 7.8 mp -60.07 -40.71 90.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.179 0.514 . . . . 0.0 110.184 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -63.77 -43.31 96.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.257 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 10.8 mm-40 -65.01 -52.17 57.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.338 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.0 m -57.35 -39.77 76.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.949 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 17.7 mmt -63.96 -40.69 96.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.995 0.426 . . . . 0.0 110.167 176.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 47.6 tpp -65.03 -32.17 73.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.846 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 81.6 mm-40 -82.69 -31.89 28.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.344 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.58 -61.55 1.77 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.836 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.447 HG21 HG21 ' A' ' 8' ' ' ILE . 62.5 p -98.68 -30.52 12.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.115 0.483 . . . . 0.0 111.103 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.86 4.47 57.84 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -176.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.8 m -136.26 132.51 35.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.9 t -82.12 105.37 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.679 0.276 . . . . 0.0 110.873 -178.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -76.55 136.13 39.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.841 172.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -100.15 -19.0 16.66 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.355 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.59 74.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 111.107 -176.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -72.43 -48.81 38.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.202 178.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.718 ' HA ' HD23 ' A' ' 97' ' ' LEU . 14.8 m -55.89 -43.67 77.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.143 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.429 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 61.5 t30 -70.19 -39.59 75.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.997 0.427 . . . . 0.0 110.806 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.66 -45.83 88.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.102 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.558 HG21 HD21 ' A' ' 97' ' ' LEU . 58.1 t -61.41 -35.03 63.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.8 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.1 mmt -69.99 -41.73 74.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.006 -177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 26.7 mm-40 -68.37 -36.75 79.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.585 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 116' ' ' VAL . 27.9 mt -59.8 -51.89 67.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.086 177.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 79' ' ' ALA . 12.1 p -70.63 -36.72 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.696 -175.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -69.92 -31.54 69.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.62 0.247 . . . . 0.0 110.642 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -66.19 -45.4 80.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.3 mt -73.38 -20.83 60.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.439 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.323 -0.568 0 CA-C-O 121.002 0.429 . . . . 0.0 110.349 -179.65 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.457 ' CG2' HG21 ' B' ' 105' ' ' THR . 12.3 pt . . . . . 0 CA--C 1.527 0.094 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -77.86 10.97 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.005 0.431 . . . . 0.0 111.491 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.3 p -66.54 -28.37 68.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.519 0.676 . . . . 0.0 109.379 169.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -120.65 115.77 32.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.29 174.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -70.06 -33.44 15.46 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.433 2.089 . . . . 0.0 113.097 -172.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -76.08 -40.97 51.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.079 0.466 . . . . 0.0 110.299 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.75 -41.65 87.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.514 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -35.35 80.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.727 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.7 ttm -61.42 -25.52 67.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.849 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 47.3 m -65.19 -36.56 84.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.175 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.494 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -64.97 -42.78 94.27 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -43.84 95.09 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.606 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -62.82 -43.23 99.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.557 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -65.67 -38.19 88.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.092 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.723 HD21 HD12 ' B' ' 97' ' ' LEU . 31.4 mt -56.82 -43.43 80.99 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.213 177.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.94 -39.22 84.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.78 0.324 . . . . 0.0 110.696 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -67.82 -36.96 81.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.578 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 30.8 p -80.71 -38.11 29.43 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.655 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.4 85.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 111.331 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 32.9 t -65.21 -25.57 67.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.613 -175.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -97.79 1.44 48.35 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.49 -176.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 89.2 p -81.97 -51.12 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.542 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.48 3.53 62.88 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.774 -177.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.432 ' HB ' HD12 ' B' ' 32' ' ' LEU . 5.6 t -85.39 -36.53 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.246 0.546 . . . . 0.0 110.569 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.432 HD12 ' HB ' ' B' ' 31' ' ' VAL . 6.0 mp -91.29 151.13 21.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.796 -176.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 67.4 p -87.47 170.4 11.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.892 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.03 -30.8 71.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.152 0.501 . . . . 0.0 110.559 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.9 -57.45 11.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.579 177.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.707 ' HB3' HG13 ' B' ' 77' ' ' VAL . 46.9 mt-30 -60.9 -41.56 96.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.514 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 68.4 mmm -64.04 -34.31 77.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.818 -177.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.427 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 14.5 t70 -69.78 -38.27 76.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' B' ' 42' ' ' MET . 55.7 m-20 -60.74 -43.33 98.08 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.255 0.55 . . . . 0.0 110.412 176.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.472 ' O ' ' HB3' ' B' ' 43' ' ' MET . 84.5 mtp -66.99 -31.42 71.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.028 0.442 . . . . 0.0 110.646 178.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.96 -45.92 84.77 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.077 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.679 ' SD ' ' HG3' ' A' ' 62' ' ' ARG . 24.7 ptt? -67.24 -26.79 66.76 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.78 0.324 . . . . 0.0 110.304 177.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . 0.472 ' HB3' ' O ' ' B' ' 40' ' ' MET . 47.8 ttp -58.38 -53.61 56.41 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.021 0.438 . . . . 0.0 110.372 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.29 93.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.07 -40.34 78.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.698 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 22.4 p -64.25 -42.04 96.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.492 0.187 . . . . 0.0 110.987 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 43' ' ' MET . 46.6 t -62.66 -39.07 83.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.341 0.591 . . . . 0.0 109.818 175.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -64.94 -46.27 82.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.729 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 5.3 p -70.42 -26.86 63.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.587 -177.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -66.18 -37.91 86.77 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 42.7 mtp -68.78 -27.67 66.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.587 175.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.94 -30.28 70.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.148 0.499 . . . . 0.0 110.03 174.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -82.21 -47.79 12.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.357 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 62.0 mtm -75.22 -49.36 19.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.235 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.84 -133.02 22.49 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.782 -175.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -80.63 157.11 21.64 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.931 2.421 . . . . 0.0 112.461 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 54.36 70.8 1.54 Allowed Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.893 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -81.53 156.01 18.76 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.069 1.846 . . . . 0.0 113.428 -176.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.461 ' HG2' ' HB2' ' B' ' 62' ' ' ARG . 55.8 Cg_endo -71.38 115.24 4.2 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 123.506 2.804 . . . . 0.0 111.771 176.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -55.67 -40.06 71.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.18 -176.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . 0.805 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 29.3 p80 -64.99 -36.07 83.21 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.608 -176.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.461 ' HB2' ' HG2' ' B' ' 59' ' ' PRO . 72.8 mtt180 -66.34 -28.98 69.08 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.089 -0.644 . . . . 0.0 109.963 177.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.86 -36.13 67.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.886 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.805 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 23.9 ptt180 -64.65 -37.51 87.83 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.64 -42.02 52.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.025 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.513 ' HA ' ' HB3' ' B' ' 69' ' ' ALA . 90.7 mmm -66.84 -25.1 66.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.385 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.4 ' O ' ' HE1' ' B' ' 112' ' ' PHE . 7.1 t30 -52.37 -55.61 20.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.277 0.56 . . . . 0.0 110.09 173.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.58 ' HB ' ' HG2' ' A' ' 76' ' ' GLU . 17.4 m -80.13 -23.72 40.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.214 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' B' ' 66' ' ' MET . . . -58.34 -52.57 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.187 176.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 17.6 ttt -56.96 -43.96 82.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.485 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.67 88.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.598 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.81 -32.44 72.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.247 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 42.7 mt-10 -62.6 -46.89 86.2 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.43 ' O ' HG23 ' B' ' 78' ' ' VAL . 82.8 t -61.21 -44.86 99.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.443 175.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.53 91.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.225 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.486 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 25.5 tp10 -59.91 -42.18 93.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.638 176.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.707 HG13 ' HB3' ' B' ' 36' ' ' GLN . 75.4 t -63.81 -44.91 98.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.045 178.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 74' ' ' VAL . 65.5 t -69.4 -44.42 80.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.322 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.66 -33.47 76.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.805 0.336 . . . . 0.0 111.45 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . 0.64 HG21 ' HD2' ' A' ' 64' ' ' ARG . 16.7 m -85.24 77.84 9.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.316 0.579 . . . . 0.0 110.414 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 60.4 p -154.02 162.17 27.48 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.0 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -56.97 148.6 67.04 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.421 2.081 . . . . 0.0 111.324 173.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.69 -19.1 66.73 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.293 1.995 . . . . 0.0 111.812 -175.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -86.2 -20.76 28.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.256 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.413 ' O ' HG23 ' B' ' 89' ' ' VAL . 18.3 t -107.48 -23.83 12.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.089 -175.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -43.99 -59.2 2.4 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.187 0.517 . . . . 0.0 112.154 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m -58.58 -32.36 68.88 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.58 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.81 -46.3 31.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.595 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.429 HG22 HG12 ' B' ' 31' ' ' VAL . 58.1 t -58.69 -44.55 90.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.271 0.558 . . . . 0.0 109.914 177.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -56.98 -50.56 72.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.492 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -63.12 -38.03 89.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.138 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 61.7 m -63.32 -48.48 77.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.363 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.7 mm -65.65 -46.5 89.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.1 -37.72 92.06 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.547 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.49 -42.76 70.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 178.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 46.4 t -71.03 -27.37 63.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.843 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.723 HD12 HD21 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -55.49 -46.33 76.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.045 177.031 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.56 ' HG3' HG21 ' B' ' 108' ' ' VAL . 38.7 ttp180 -60.3 -50.56 73.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.958 178.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -59.06 -50.28 74.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.99 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 73.1 m -54.5 -42.88 71.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.972 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.556 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 15.6 mmt -65.99 -43.1 88.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.811 0.338 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 46.8 tpp -62.09 -38.72 89.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.963 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -83.32 -17.49 42.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.8 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.45 -53.09 4.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.817 0.341 . . . . 0.0 111.693 -177.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.457 HG21 ' CG2' ' B' ' 8' ' ' ILE . 67.7 p -109.7 -43.01 4.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.685 -173.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.92 -11.82 7.76 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 68.2 m -130.83 142.69 50.4 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.56 HG21 ' HG3' ' B' ' 98' ' ' ARG . 3.7 p -91.45 104.99 16.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.502 0.668 . . . . 0.0 111.01 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -71.56 129.67 39.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.52 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.26 -24.81 23.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.631 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.74 -54.41 45.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.966 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.456 ' O ' HG23 ' B' ' 116' ' ' VAL . 76.9 t80 -66.89 -46.04 76.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.445 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.58 ' HA ' HD23 ' B' ' 97' ' ' LEU . 59.8 m -56.61 -44.13 80.83 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.315 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . 0.556 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 65.6 t30 -72.72 -38.05 67.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.608 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.81 -41.98 92.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.383 -178.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 112' ' ' PHE . 58.4 t -59.53 -39.26 78.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.127 0.489 . . . . 0.0 109.992 177.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 20.2 mmt -67.06 -44.85 79.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.079 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 44.4 mt-30 -57.52 -43.1 84.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.757 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.92 -51.25 67.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.452 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.0 p -72.18 -32.33 42.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.511 -174.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' B' ' 125' ' ' ALA . 58.0 mtpt -75.01 -7.94 55.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.0 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -100.32 -50.82 3.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.931 0.396 . . . . 0.0 110.538 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.79 -38.67 86.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.868 -176.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 33.1 t -97.8 13.9 28.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.172 -176.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' B' ' 121' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.185 0.517 . . . . 0.0 111.564 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.836 ' HB ' HG21 ' A' ' 105' ' ' THR . 2.7 pp . . . . . 0 C--O 1.232 0.182 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.401 ' CE2' ' HA ' ' A' ' 67' ' ' ASN . 75.3 m95 -71.9 8.74 1.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.871 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.5 m -65.34 -23.58 67.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.307 0.575 . . . . 0.0 109.485 172.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -122.19 114.2 30.75 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.02 176.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -70.78 -33.95 11.93 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.735 2.29 . . . . 0.0 112.715 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -68.21 -41.99 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.428 . . . . 0.0 109.866 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.41 95.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.713 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.35 99.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.657 177.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.1 ttm -62.53 -29.84 70.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.531 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.8 m -65.05 -36.78 85.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.966 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.466 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 0.2 OUTLIER -65.48 -42.08 92.6 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 176.621 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -44.87 95.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.348 176.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -64.04 -44.17 93.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.824 178.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -59.4 -40.53 86.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.695 HD21 HD12 ' A' ' 97' ' ' LEU . 29.2 mt -62.28 -42.02 98.99 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.174 -0.211 . . . . 0.0 111.325 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.42 -44.8 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.681 0.277 . . . . 0.0 110.62 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -62.23 -45.78 91.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.073 0.463 . . . . 0.0 110.069 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.6 t -60.73 -42.67 97.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.508 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -68.23 -41.67 80.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.094 0.473 . . . . 0.0 111.255 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 t -67.7 -33.63 75.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.139 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -86.33 -24.02 26.01 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.302 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 p -74.62 -41.89 59.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.075 0.464 . . . . 0.0 110.094 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.97 19.82 78.54 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.649 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.403 ' CG1' HD12 ' A' ' 32' ' ' LEU . 14.5 p -88.55 -18.24 8.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.064 0.459 . . . . 0.0 110.139 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.519 ' HB3' ' HB2' ' A' ' 36' ' ' GLN . 5.3 mp -95.72 152.16 18.71 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.548 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.3 p -85.46 178.42 7.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.298 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -43.13 91.63 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.973 ' HB3' HH22 ' B' ' 64' ' ' ARG . 1.1 m-20 -52.43 -58.5 6.52 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.906 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.567 ' HB3' HG13 ' A' ' 77' ' ' VAL . 48.4 mt-30 -60.08 -46.98 87.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.149 -175.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.6 mmm -59.99 -46.18 90.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.826 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.403 ' OD2' ' HE1' ' B' ' 61' ' ' HIS . 29.4 t70 -68.23 -33.92 75.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.019 0.438 . . . . 0.0 111.077 -174.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.483 ' HA ' ' NH1' ' B' ' 62' ' ' ARG . 65.6 m-20 -71.64 -35.42 70.39 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.814 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' A' ' 43' ' ' MET . 92.5 mtp -65.05 -34.27 78.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.014 0.435 . . . . 0.0 110.185 174.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.79 -40.82 99.33 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.655 174.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.444 ' SD ' ' HG3' ' B' ' 62' ' ' ARG . 53.3 ttp -64.0 -35.42 80.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 110.693 176.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.486 ' O ' HG23 ' A' ' 47' ' ' VAL . 43.6 ttp -58.44 -46.13 87.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 177.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.94 89.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.972 0.415 . . . . 0.0 110.773 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.48 -38.76 77.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.49 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 p -66.67 -39.87 88.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.685 0.278 . . . . 0.0 111.042 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 43' ' ' MET . 41.6 t -65.67 -35.63 75.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.253 0.549 . . . . 0.0 109.957 175.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -72.01 -48.89 41.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.575 -177.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.499 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 8.1 p -62.61 -40.14 96.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.581 -175.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.536 ' HB3' ' HE2' ' A' ' 54' ' ' MET . 92.5 mt-30 -58.2 -39.37 78.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.855 0.36 . . . . 0.0 110.894 177.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 88.0 mmm -62.63 -49.25 75.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.27 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -70.44 -21.15 62.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.382 -177.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 49' ' ' SER . 41.1 mtpt -78.81 -47.46 16.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.387 176.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.536 ' HE2' ' HB3' ' A' ' 50' ' ' GLN . 74.3 mtm -79.79 -55.4 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.809 -174.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.31 -159.8 27.17 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.109 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -84.28 -14.02 7.22 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.638 2.225 . . . . 0.0 113.07 -176.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -135.5 81.72 41.65 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-O 121.15 0.5 . . . . 0.0 110.699 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -63.18 158.53 43.72 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.994 2.463 . . . . 0.0 112.398 173.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.539 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 40.7 Cg_endo -66.96 154.96 72.89 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.947 2.431 . . . . 0.0 112.258 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 28.1 mm-40 -58.07 -43.2 86.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.161 -177.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.62 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 30.3 p80 -60.8 -35.15 75.75 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.865 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.539 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 3.0 tmt_? -66.14 -38.95 89.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.799 0.333 . . . . 0.0 110.343 -177.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.96 -49.98 70.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.369 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.62 ' HE ' ' HA ' ' A' ' 61' ' ' HIS . 10.1 ptt180 -72.37 -21.05 61.35 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.924 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.896 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -76.35 -51.15 12.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.935 0.397 . . . . 0.0 110.691 175.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.527 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 99.7 mmm -63.73 -22.06 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.293 -177.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.401 ' HA ' ' CE2' ' A' ' 9' ' ' TRP . 41.6 t30 -50.85 -53.24 33.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.127 0.489 . . . . 0.0 109.992 170.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 57.3 m -76.85 -33.06 57.92 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.072 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.527 ' HB3' ' HA ' ' A' ' 66' ' ' MET . . . -60.79 -54.68 42.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.654 0.264 . . . . 0.0 111.304 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.41 ' HE2' ' CZ ' ' A' ' 112' ' ' PHE . 20.7 ttt -59.38 -44.22 92.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.48 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.96 99.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.129 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.416 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -64.14 -38.09 89.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.019 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -62.04 -48.82 78.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.689 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 78' ' ' VAL . 73.1 t -58.95 -45.73 91.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.827 0.346 . . . . 0.0 110.629 177.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.89 -43.47 98.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.378 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.76 -45.73 91.35 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.567 HG13 ' HB3' ' A' ' 36' ' ' GLN . 39.3 t -58.03 -50.76 76.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.37 177.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 74' ' ' VAL . 95.6 t -61.69 -45.08 99.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.647 0.261 . . . . 0.0 111.384 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HB2' HG23 ' A' ' 120' ' ' VAL . . . -64.01 -19.61 65.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.59 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.3 m -91.22 69.18 6.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.256 0.55 . . . . 0.0 110.199 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 56.9 p -152.33 152.99 30.26 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.416 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.01 143.11 99.19 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.284 1.989 . . . . 0.0 111.241 175.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.35 -24.74 36.15 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.227 2.618 . . . . 0.0 112.419 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -60.23 -50.04 75.22 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.569 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.5 m -107.07 4.23 26.72 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.909 -173.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -55.47 -48.75 74.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 110.787 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.3 t -62.24 -38.91 91.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.549 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.66 -48.99 72.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.9 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.13 -46.41 96.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.946 0.403 . . . . 0.0 110.199 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -57.83 -50.09 74.45 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.493 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -58.57 -43.97 89.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.08 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.3 m -59.42 -50.37 74.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.37 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.46 HG23 HD13 ' A' ' 97' ' ' LEU . 1.5 mm -66.8 -48.97 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.073 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.48 -32.23 82.4 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.934 -0.651 . . . . 0.0 113.213 -176.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.54 -38.21 26.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.669 -0.313 . . . . 0.0 110.905 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.0 t -77.18 -25.11 51.49 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.695 HD12 HD21 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -50.55 -53.32 31.25 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.146 176.423 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -57.26 -50.06 74.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.138 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 7.0 mm-40 -64.28 -47.1 80.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.97 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 61.9 m -51.34 -39.86 57.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.402 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.466 ' SD ' ' HG3' ' A' ' 18' ' ' MET . 15.0 mmt -64.38 -44.71 90.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.829 0.347 . . . . 0.0 110.761 177.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.4 ttm -70.24 -26.27 63.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.988 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 32.2 mm-40 -77.68 -35.87 51.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.132 0.491 . . . . 0.0 110.194 177.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.76 -68.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.374 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.836 HG21 ' HB ' ' A' ' 8' ' ' ILE . 72.0 p -89.49 -40.26 12.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.189 0.518 . . . . 0.0 110.869 -176.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.58 -1.77 30.7 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -176.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.5 m -129.82 134.3 47.47 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 63.9 t -75.78 101.95 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.938 0.399 . . . . 0.0 110.976 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -75.58 101.39 4.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.318 175.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -76.58 -20.68 56.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.812 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.66 -52.43 57.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.834 0.35 . . . . 0.0 110.496 -178.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.41 ' CZ ' ' HE2' ' A' ' 70' ' ' MET . 79.2 t80 -66.82 -49.27 66.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.212 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.65 ' HA ' HD23 ' A' ' 97' ' ' LEU . 28.6 m -55.08 -44.88 75.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.718 -178.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -66.99 -42.92 84.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.729 0.299 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.21 -41.63 89.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 -175.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 82.5 t -58.2 -40.45 77.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.902 0.382 . . . . 0.0 110.973 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 8.6 mmt -69.95 -37.95 75.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.226 -176.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -70.4 -40.9 73.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.487 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 72' ' ' ALA . 13.9 mt -58.69 -47.7 83.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.344 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.468 HG23 ' HB2' ' A' ' 79' ' ' ALA . 14.4 p -71.71 -36.42 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.962 -176.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -66.1 -33.82 76.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.643 0.259 . . . . 0.0 110.783 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 37.4 ttp -68.63 -39.0 80.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 83.4 mt -74.42 -32.35 62.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.205 0.526 . . . . 0.0 111.007 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 C--N 1.314 -0.951 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.177 179.541 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.87 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.5 pp . . . . . 0 N--CA 1.462 0.156 0 CA-C-O 120.828 0.347 . . . . 0.0 111.65 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . 0.512 ' O ' HD13 ' B' ' 63' ' ' LEU . 87.3 m95 -79.7 12.19 2.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.425 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.5 m -60.08 -30.0 68.94 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.519 0.676 . . . . 0.0 109.702 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -130.46 111.16 16.43 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.457 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -67.2 -26.36 42.35 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.085 2.523 . . . . 0.0 112.409 -173.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -67.38 -36.79 82.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.123 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.37 -42.03 65.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.256 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.65 97.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.642 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 43.1 ttm -63.48 -27.24 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.519 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 63.2 m -67.28 -37.21 83.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.192 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.486 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.3 OUTLIER -62.64 -39.53 94.16 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 175.739 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -63.0 -47.29 83.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.804 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -67.12 -39.91 86.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.981 -178.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -61.82 -36.92 82.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.985 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.695 HD21 HD12 ' B' ' 97' ' ' LEU . 54.5 mt -59.73 -47.29 86.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.065 177.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.453 HG22 ' HB3' ' B' ' 40' ' ' MET . 90.5 t -61.72 -45.39 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.962 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.451 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 48.1 mt-30 -61.48 -42.68 99.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.038 0.447 . . . . 0.0 110.193 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 31.1 t -64.32 -41.81 96.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.823 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.534 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -63.6 -37.23 86.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.947 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 39.8 t -70.34 -21.61 62.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.715 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' B' ' 24' ' ' GLN . 53.5 mtp180 -80.79 -35.5 33.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.827 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.9 p -80.39 -48.13 13.37 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.981 -177.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.91 23.33 78.15 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.07 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.1 p -88.24 -5.67 10.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.625 0.726 . . . . 0.0 109.963 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.534 HD13 ' HB1' ' B' ' 26' ' ' ALA . 4.9 mp -104.57 160.87 14.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.568 -178.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 35.0 p -89.21 173.6 8.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.804 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.08 96.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.745 0.307 . . . . 0.0 110.738 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.576 ' OD2' ' HB3' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -54.84 -48.83 72.36 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.756 175.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.662 ' HB3' HG13 ' B' ' 77' ' ' VAL . 27.0 mt-30 -68.11 -44.44 76.17 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.255 -177.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 80.7 mmm -63.01 -45.69 91.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.641 0.257 . . . . 0.0 111.229 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -69.42 -25.52 64.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.353 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -72.91 -44.06 61.7 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.203 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.453 ' HB3' HG22 ' B' ' 23' ' ' VAL . 88.6 mtp -61.99 -38.76 89.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.255 176.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.95 -42.48 96.83 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.436 175.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -60.27 -42.61 95.77 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.836 0.35 . . . . 0.0 110.293 175.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 39.6 ttp -54.79 -52.05 63.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.089 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.92 95.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.53 -34.08 77.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.209 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 65.1 m -62.13 -50.49 71.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.584 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 24.3 t -58.58 -42.36 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 121.372 0.606 . . . . 0.0 109.825 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -60.29 -47.32 86.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.088 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.448 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 20.5 m -69.56 -43.26 73.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.27 -178.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -58.83 -41.6 87.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.656 0.265 . . . . 0.0 111.046 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -57.0 -48.61 78.05 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.079 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.435 HE21 ' HA ' ' B' ' 49' ' ' SER . 26.5 pt20 -82.77 -7.91 59.62 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -176.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 49' ' ' SER . 9.6 mtpm? -81.03 -9.78 59.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.327 0.584 . . . . 0.0 109.926 170.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . 0.556 ' SD ' ' HG2' ' B' ' 62' ' ' ARG . 74.9 mtm -112.21 -172.52 2.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.587 177.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.75 179.7 51.29 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.373 -0.917 . . . . 0.0 111.906 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.6 -14.36 39.37 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.512 2.141 . . . . 0.0 112.456 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -128.91 84.61 62.55 Favored Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.699 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.42 157.0 53.9 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.459 2.106 . . . . 0.0 112.712 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.658 ' HG2' ' HD3' ' B' ' 62' ' ' ARG . 31.6 Cg_endo -65.3 147.4 87.67 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.695 2.263 . . . . 0.0 111.907 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -66.57 -30.93 71.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.827 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . 0.574 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 25.8 p80 -68.28 -20.4 64.78 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.227 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.658 ' HD3' ' HG2' ' B' ' 59' ' ' PRO . 2.9 mpt_? -68.64 -38.94 80.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.512 HD13 ' O ' ' B' ' 9' ' ' TRP . 75.9 mt -68.05 -39.86 82.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.934 -177.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.973 HH22 ' HB3' ' A' ' 35' ' ' ASP . 23.6 ptt180 -64.73 -39.37 93.52 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.708 0.289 . . . . 0.0 110.343 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.55 -38.45 65.23 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 111.046 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 86.5 mmm -68.8 -29.78 68.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.151 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.497 ' HA ' ' CZ2' ' B' ' 9' ' ' TRP . 7.7 t30 -54.88 -50.56 68.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.228 0.537 . . . . 0.0 110.225 175.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.416 HG22 ' HB1' ' A' ' 72' ' ' ALA . 18.3 m -70.86 -35.77 72.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.963 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.83 -51.33 67.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.842 0.353 . . . . 0.0 111.328 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.0 ttt -60.67 -47.0 88.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.717 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.39 98.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.221 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.01 94.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.449 ' O ' HG23 ' B' ' 77' ' ' VAL . 24.8 mm-40 -62.41 -48.46 79.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.146 178.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.477 ' O ' HG23 ' B' ' 78' ' ' VAL . 58.7 t -57.72 -45.35 86.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.968 0.413 . . . . 0.0 110.539 176.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.93 96.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.784 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.896 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 18.4 tp10 -57.51 -49.7 75.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.256 176.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.662 HG13 ' HB3' ' B' ' 36' ' ' GLN . 54.1 t -52.1 -49.61 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.954 178.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.477 HG23 ' O ' ' B' ' 74' ' ' VAL . 58.4 t -64.13 -41.35 92.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.07 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.38 2.02 26.61 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 39.1 m -92.12 -11.61 35.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.215 0.531 . . . . 0.0 110.259 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 89.6 p -74.5 160.6 80.79 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.46 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . 0.454 ' HB2' ' HG2' ' B' ' 84' ' ' GLN . 18.8 Cg_exo -66.31 146.27 80.36 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.217 1.945 . . . . 0.0 110.557 173.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -55.19 -32.23 79.39 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.552 2.168 . . . . 0.0 111.988 -176.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . 0.454 ' HG2' ' HB2' ' B' ' 82' ' ' PRO . 13.8 pt20 -66.41 -17.9 65.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.002 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.401 ' O ' HG23 ' B' ' 89' ' ' VAL . 68.2 m -123.5 4.75 8.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 -177.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . 0.532 ' OH ' HG22 ' B' ' 120' ' ' VAL . 38.4 t80 -55.01 -58.09 9.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.416 -176.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 69.9 m -61.61 -35.41 77.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.461 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.28 96.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.927 0.394 . . . . 0.0 110.551 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 85' ' ' SER . 56.8 t -70.14 -45.36 76.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.196 177.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -57.59 -50.98 71.33 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.709 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -58.99 -36.17 74.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.969 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 87.9 m -67.53 -50.56 58.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.805 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.476 HG23 HD13 ' B' ' 97' ' ' LEU . 1.4 mm -64.93 -46.65 91.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.956 178.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.77 -40.88 97.22 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.853 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.25 -35.48 66.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.791 0.329 . . . . 0.0 111.301 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.79 -14.95 40.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.845 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.695 HD12 HD21 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -56.77 -47.07 80.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.473 0.654 . . . . 0.0 109.516 171.204 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.403 ' HG3' HG21 ' B' ' 108' ' ' VAL . 53.2 ttt180 -58.46 -49.67 76.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.583 176.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -58.85 -48.25 82.0 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.912 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . 0.439 ' HB3' ' HG2' ' B' ' 18' ' ' MET . 66.7 m -55.09 -46.2 75.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.697 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.448 ' HB3' ' O ' ' B' ' 107' ' ' SER . 18.9 mmt -62.63 -39.07 92.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.94 0.4 . . . . 0.0 111.13 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . 0.447 ' O ' ' HA2' ' B' ' 106' ' ' GLY . 7.1 ttm -68.19 -24.63 64.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.556 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -96.78 -20.54 18.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.044 0.45 . . . . 0.0 111.407 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.11 -57.33 3.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.894 0.378 . . . . 0.0 110.993 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.87 HG21 ' HB ' ' B' ' 8' ' ' ILE . 64.3 p -107.12 -26.79 10.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 0.0 110.745 -178.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' B' ' 102' ' ' MET . . . 99.87 -0.09 56.37 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -176.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' B' ' 101' ' ' MET . 17.0 m -135.5 135.16 40.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.485 -0.358 . . . . 0.0 110.129 -177.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.403 HG21 ' HG3' ' B' ' 98' ' ' ARG . 53.0 t -88.19 102.6 12.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.788 0.328 . . . . 0.0 110.608 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -78.27 133.59 37.66 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.868 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -91.66 -21.33 20.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.48 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.59 -52.44 60.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.646 0.26 . . . . 0.0 110.688 -176.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.468 ' O ' HG23 ' B' ' 116' ' ' VAL . 83.3 t80 -67.23 -50.2 61.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.342 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.594 ' HA ' HD23 ' B' ' 97' ' ' LEU . 43.2 m -55.14 -44.45 75.09 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.286 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 13.2 t30 -69.75 -38.15 76.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.818 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.454 ' HA ' HE21 ' B' ' 118' ' ' GLN . 12.0 tp10 -62.47 -42.17 99.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.626 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 112' ' ' PHE . 57.7 t -58.16 -41.03 79.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.025 0.441 . . . . 0.0 110.384 176.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 26.5 mmt -64.63 -43.15 94.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.505 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 37.9 mt-30 -62.3 -45.58 92.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.995 0.426 . . . . 0.0 110.337 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' B' ' 123' ' ' LEU . 15.8 mt -55.84 -51.48 67.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.395 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . 0.532 HG22 ' OH ' ' B' ' 86' ' ' TYR . 11.4 p -69.35 -36.25 71.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.242 -174.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -64.36 -39.1 93.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.973 0.416 . . . . 0.0 110.375 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 37.0 ttp -68.29 -38.54 81.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.063 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' B' ' 119' ' ' LEU . 86.9 mt -65.98 -29.43 69.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.029 0.443 . . . . 0.0 110.645 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 23.9 t -94.84 7.42 46.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.735 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.229 0.538 . . . . 0.0 111.496 -176.714 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.418 HD13 ' SD ' ' A' ' 101' ' ' MET . 7.4 pt . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 121.133 0.492 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.621 ' CH2' ' HG2' ' A' ' 66' ' ' MET . 77.0 m95 -88.33 31.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.438 -177.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.3 m -64.39 -38.78 92.24 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 171.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -132.28 136.88 28.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.543 174.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.53 -33.99 44.16 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.831 2.354 . . . . 0.0 112.738 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -71.94 -33.27 68.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 110.572 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.39 76.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.236 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.17 93.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.832 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.0 ttm -60.56 -26.77 67.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.063 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.5 m -65.58 -35.57 81.21 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.969 0.414 . . . . 0.0 110.302 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.82 -39.93 79.77 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 176.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -61.52 -42.47 98.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.929 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -68.77 -42.68 77.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.146 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -64.5 -34.36 78.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.496 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.716 HD21 HD12 ' A' ' 97' ' ' LEU . 32.1 mt -58.72 -39.35 80.6 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.89 0.376 . . . . 0.0 110.964 176.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.2 t -70.15 -36.98 70.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.062 0.458 . . . . 0.0 110.382 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -68.1 -45.45 73.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.56 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 29.2 p -68.81 -34.6 75.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.719 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.522 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -65.65 -40.7 92.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.153 0.502 . . . . 0.0 111.051 175.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.5 t -69.38 -34.62 74.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.045 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.56 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 12.5 ptm180 -85.24 -11.0 55.89 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.249 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 p -90.84 -41.78 11.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.958 0.408 . . . . 0.0 109.95 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.68 23.15 78.02 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.466 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.403 ' CG1' HD12 ' A' ' 32' ' ' LEU . 13.7 p -88.0 -17.0 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.264 0.554 . . . . 0.0 110.424 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.522 HD13 ' HB1' ' A' ' 26' ' ' ALA . 5.2 mp -95.39 161.56 14.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.46 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.9 p -93.41 176.64 6.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.59 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.26 83.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.651 0.262 . . . . 0.0 111.211 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -59.35 -54.1 50.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.194 0.521 . . . . 0.0 109.737 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.635 ' HB3' HG13 ' A' ' 77' ' ' VAL . 50.1 mt-30 -60.42 -46.23 90.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.047 -0.978 . . . . 0.0 111.406 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 86.2 mmm -63.49 -34.25 77.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.581 -177.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -73.2 -34.92 66.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.448 -178.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 42' ' ' MET . 10.1 m-20 -65.2 -40.8 94.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.492 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.437 ' O ' ' HB3' ' A' ' 43' ' ' MET . 87.1 mtp -66.73 -36.4 82.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.952 0.406 . . . . 0.0 110.392 176.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.92 -45.72 93.38 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.676 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.587 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -74.24 -17.61 60.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.322 . . . . 0.0 110.372 179.443 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.437 ' HB3' ' O ' ' A' ' 40' ' ' MET . 49.3 ttp -65.02 -46.8 79.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.193 0.521 . . . . 0.0 109.723 172.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.86 -31.86 73.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.534 0.683 . . . . 0.0 109.962 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.587 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 21.4 t70 -67.58 -46.1 73.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.565 178.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 p -65.8 -42.1 91.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.479 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.541 HG13 ' SD ' ' A' ' 66' ' ' MET . 73.0 t -61.47 -42.73 95.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.133 177.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -66.53 -48.25 70.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.866 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.8 p -64.08 -44.1 93.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 110.971 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.552 ' OE1' ' HB3' ' B' ' 46' ' ' SER . 0.0 OUTLIER -59.84 -46.37 89.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.825 175.743 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' A' ' 47' ' ' VAL . 5.1 tmm? -56.27 -52.91 62.77 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.914 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -68.55 -26.25 65.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.692 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -71.88 -22.99 61.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.064 0.459 . . . . 0.0 111.01 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 73.5 mtm -92.15 -35.14 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.231 0.538 . . . . 0.0 110.041 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.25 -173.38 25.18 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.151 176.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.36 137.8 62.46 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.623 2.216 . . . . 0.0 111.8 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.5 m120 56.11 71.86 1.12 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.389 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -75.51 163.04 34.93 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 123.149 2.566 . . . . 0.0 112.533 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -65.46 143.98 77.92 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.657 2.238 . . . . 0.0 112.449 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.468 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 21.1 mt-30 -79.8 -29.08 40.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.349 -172.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.445 ' HE1' ' OD2' ' B' ' 38' ' ' ASP . 26.1 p80 -61.8 -38.03 86.58 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.142 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.423 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 63.8 mtt180 -68.91 -31.15 69.85 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.109 176.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.6 -31.33 71.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.135 176.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 57.4 mtm180 -59.98 -55.24 36.44 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.64 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -63.45 -36.21 82.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.3 -178.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.621 ' HG2' ' CH2' ' A' ' 9' ' ' TRP . 33.5 ttm -69.19 -33.57 73.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.421 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -54.67 -50.92 67.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.091 0.472 . . . . 0.0 110.562 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.546 HG22 ' HB1' ' B' ' 72' ' ' ALA . 6.7 m -72.12 -29.21 63.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.782 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.24 -53.51 55.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.841 0.353 . . . . 0.0 110.252 175.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.8 ttt -57.75 -45.68 85.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.78 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.16 97.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.573 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.553 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -71.58 -33.23 68.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.43 -178.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 41.5 mt-10 -60.03 -46.22 90.22 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 176.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.67 -45.93 96.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.669 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.71 94.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.963 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 21.5 tp10 -57.79 -48.29 80.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.366 176.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.635 HG13 ' HB3' ' A' ' 36' ' ' GLN . 56.9 t -57.92 -45.3 87.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.56 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -77.59 -47.19 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.801 -175.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.441 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . . . -64.54 -43.83 92.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.788 0.328 . . . . 0.0 111.786 -174.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.2 m -87.71 72.95 9.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.477 0.656 . . . . 0.0 110.612 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.485 ' HB2' ' HD2' ' A' ' 82' ' ' PRO . 59.5 p -137.67 174.48 4.29 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.107 -0.951 . . . . 0.0 108.91 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.485 ' HD2' ' HB2' ' A' ' 81' ' ' SER . 46.6 Cg_exo -56.96 139.72 90.45 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 121.898 1.732 . . . . 0.0 110.831 173.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.05 -12.03 33.65 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.37 2.047 . . . . 0.0 112.371 -172.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -96.48 -14.71 22.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.078 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 t -108.92 -16.49 14.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.8 -176.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.441 ' CE1' ' HA ' ' A' ' 79' ' ' ALA . 45.3 t80 -49.64 -51.4 38.03 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.021 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.8 t -64.17 -32.87 74.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.748 0.308 . . . . 0.0 110.979 -177.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.29 -45.05 50.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.623 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.1 t -63.5 -43.63 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.116 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.08 -49.93 76.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.509 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -58.93 -36.53 74.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.683 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.6 m -65.93 -49.69 67.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.287 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.465 HD13 ' HA ' ' A' ' 93' ' ' ILE . 2.3 mm -66.12 -45.7 89.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.511 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.48 -35.2 90.7 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.754 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.16 -40.24 53.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.832 0.348 . . . . 0.0 110.371 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.506 ' SG ' HD23 ' A' ' 22' ' ' LEU . 47.6 t -67.67 -33.94 75.93 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -178.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.716 HD12 HD21 ' A' ' 22' ' ' LEU . 1.5 mp -51.64 -46.42 63.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.091 0.472 . . . . 0.0 110.94 177.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 45.3 ttt-85 -63.38 -51.3 66.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.467 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 13.8 mm-40 -62.72 -47.46 83.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.173 -178.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.9 m -55.57 -39.27 70.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.701 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.418 ' SD ' HD13 ' A' ' 8' ' ' ILE . 15.7 mmt -65.93 -40.87 91.78 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.613 177.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 34.3 ttm -70.77 -29.39 65.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.14 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 87.1 mm-40 -80.22 -24.73 40.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.943 0.401 . . . . 0.0 110.581 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.43 -59.76 2.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.227 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 64.5 p -96.86 -41.05 8.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.907 0.384 . . . . 0.0 110.992 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 122.06 -15.94 8.8 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.683 -177.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.7 m -129.63 160.25 33.9 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.3 t -84.9 106.84 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.803 0.335 . . . . 0.0 111.314 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -78.95 114.99 18.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -90.18 -15.07 32.21 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 -177.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.68 -49.81 67.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.06 -176.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 116' ' ' VAL . 85.0 t80 -72.24 -46.95 53.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.351 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.623 ' HA ' HD23 ' A' ' 97' ' ' LEU . 24.9 m -58.24 -43.19 87.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.497 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 12.3 t30 -63.6 -39.49 94.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.749 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.61 -47.3 76.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.793 -176.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.563 ' HA ' HD12 ' A' ' 119' ' ' LEU . 53.8 t -60.01 -39.9 81.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.358 -177.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 28.3 mmt -64.69 -35.6 81.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -177.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 114' ' ' ASN . 36.8 mt-30 -74.68 -41.06 60.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.929 0.395 . . . . 0.0 110.003 177.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 116' ' ' VAL . 21.2 mt -55.91 -49.38 73.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.2 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.7 p -69.67 -33.07 54.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.125 -0.488 . . . . 0.0 112.0 -173.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -75.93 -26.74 57.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.786 0.326 . . . . 0.0 110.795 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.453 ' HE1' HD23 ' B' ' 119' ' ' LEU . 43.5 ttp -80.95 -40.72 24.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.175 176.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -33.71 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.493 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.552 -176.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' B' ' 15' ' ' ALA . 1.2 pt . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.901 0.382 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -78.92 14.34 1.41 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.26 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -66.83 -34.34 77.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.17 0.51 . . . . 0.0 109.999 173.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -118.49 114.2 36.32 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.734 172.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -57.66 -34.09 97.62 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.758 2.305 . . . . 0.0 111.751 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -65.76 -43.44 88.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.597 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.95 -44.45 80.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.504 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.448 ' HA ' HD12 ' B' ' 8' ' ' ILE . . . -60.86 -42.45 97.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.758 177.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 43.6 ttm -63.34 -31.46 72.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.627 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 31.3 m -63.61 -35.66 81.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.048 0.452 . . . . 0.0 110.061 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 1.106 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -66.69 -43.21 85.01 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 176.029 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -61.75 -45.28 94.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.102 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' B' ' 24' ' ' GLN . 89.3 m-20 -66.6 -40.98 89.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.083 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -62.14 -36.74 82.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.094 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.61 HD21 HD12 ' B' ' 97' ' ' LEU . 31.1 mt -58.88 -46.68 87.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.944 0.402 . . . . 0.0 111.259 177.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 46.3 t -66.77 -36.02 76.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.912 0.387 . . . . 0.0 110.251 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.565 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 49.9 mt-30 -65.91 -50.99 62.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.095 177.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 21.5 p -66.7 -33.84 76.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.965 0.412 . . . . 0.0 110.674 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.71 -43.13 80.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.058 0.456 . . . . 0.0 110.459 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 48.3 t -60.6 -36.94 79.78 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.1 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 8.1 ptm180 -88.21 0.92 55.52 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.3 p -87.88 -41.54 13.14 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.186 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.52 11.25 84.33 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.068 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.52 HG12 HG22 ' B' ' 89' ' ' VAL . 6.9 t -89.81 -26.76 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.152 0.501 . . . . 0.0 110.247 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -95.51 151.31 19.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.886 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 34.5 p -88.65 178.48 6.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.607 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.08 -36.05 82.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.923 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -66.86 -51.36 56.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.468 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -58.04 -46.69 84.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.392 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . 0.423 ' O ' ' HG3' ' B' ' 40' ' ' MET . 60.7 mmm -63.64 -41.07 98.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.095 -177.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.445 ' OD2' ' HE1' ' A' ' 61' ' ' HIS . 37.8 t70 -73.88 -25.48 60.06 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.403 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -63.32 -57.03 11.72 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.083 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.55 ' O ' ' HB3' ' B' ' 43' ' ' MET . 0.1 OUTLIER -65.41 -28.45 69.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.487 176.332 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.08 -45.48 95.4 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 121.049 -0.596 . . . . 0.0 111.874 175.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.571 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 11.3 ptt? -75.64 -17.85 59.87 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . 0.55 ' HB3' ' O ' ' B' ' 40' ' ' MET . 50.5 ttp -60.13 -54.45 45.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.66 88.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.442 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.571 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 28.4 t70 -66.65 -39.27 88.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.966 -177.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.552 ' HB3' ' OE1' ' A' ' 50' ' ' GLN . 13.0 p -69.31 -44.07 72.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.575 0.226 . . . . 0.0 110.967 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.539 HG23 ' O ' ' B' ' 43' ' ' MET . 34.7 t -59.31 -41.12 83.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-O 121.434 0.635 . . . . 0.0 109.307 174.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -61.88 -56.18 22.02 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.591 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 11.2 p -66.7 -38.75 87.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.784 -175.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.55 -37.86 89.01 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.927 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 56.9 mmm -61.23 -39.57 90.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.496 176.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -63.72 -46.33 85.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.676 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' B' ' 53' ' ' LYS . 19.9 mtpp -60.84 -46.96 88.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.748 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . 0.424 ' SD ' ' HD3' ' B' ' 62' ' ' ARG . 70.1 mtm -69.16 -41.63 76.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.953 0.406 . . . . 0.0 110.269 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.81 -158.24 38.63 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.53 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.5 141.98 63.32 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.659 2.239 . . . . 0.0 111.887 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 16.5 m120 59.04 69.98 1.24 Allowed Pre-proline 0 N--CA 1.465 0.314 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.96 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -88.86 165.62 5.97 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.808 2.338 . . . . 0.0 112.593 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.44 111.06 1.97 Allowed 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.651 2.234 . . . . 0.0 111.638 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -68.14 -21.94 64.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.726 -175.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . 0.72 ' HA ' ' HD3' ' B' ' 64' ' ' ARG . 5.3 p80 -70.45 -25.24 63.09 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.127 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.537 ' O ' ' HG2' ' B' ' 66' ' ' MET . 61.1 ttt180 -72.34 -30.67 64.95 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 176.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.04 -36.67 84.77 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.72 ' HD3' ' HA ' ' B' ' 61' ' ' HIS . 3.0 mtp85 -51.4 -54.26 28.39 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.334 172.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.963 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -66.36 -40.92 90.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.787 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 94.3 mmm -63.33 -29.81 71.05 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.63 -177.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -55.14 -56.25 21.99 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.11 0.481 . . . . 0.0 110.637 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.553 HG22 ' HB1' ' A' ' 72' ' ' ALA . 91.7 m -72.58 -28.15 62.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.035 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -60.35 -54.16 49.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.493 176.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.7 ttt -57.62 -45.32 85.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.002 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.24 -43.12 99.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.358 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.546 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -70.94 -36.66 72.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.287 -178.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.551 ' O ' HG23 ' B' ' 77' ' ' VAL . 50.6 mt-10 -62.23 -44.55 96.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.425 178.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.427 ' O ' HG23 ' B' ' 78' ' ' VAL . 43.6 t -59.64 -47.54 90.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.76 0.314 . . . . 0.0 110.437 175.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.42 86.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.779 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.64 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 45.2 tp10 -61.24 -48.25 82.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.536 176.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.551 HG23 ' O ' ' B' ' 73' ' ' GLU . 85.2 t -57.9 -41.95 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 74' ' ' VAL . 74.0 t -70.71 -47.83 61.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.212 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.85 -31.2 72.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.752 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 5.3 m -85.56 73.22 10.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.4 0.619 . . . . 0.0 110.483 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 72.8 p -153.95 163.53 23.66 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.007 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -62.02 146.47 96.22 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.829 1.686 . . . . 0.0 111.012 175.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -55.44 -32.64 82.91 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 111.884 -176.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -71.98 -22.1 61.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.596 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.464 ' O ' HG23 ' B' ' 89' ' ' VAL . 63.5 m -109.7 -19.02 13.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.611 -174.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -50.12 -46.76 54.06 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.671 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 47.7 t -61.24 -40.95 95.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.756 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.54 -42.2 74.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.958 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.52 HG22 HG12 ' B' ' 31' ' ' VAL . 46.8 t -63.41 -45.4 98.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.71 -50.83 72.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.546 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.58 -34.41 76.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.936 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 60.8 m -66.44 -51.42 57.11 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.18 0.514 . . . . 0.0 110.268 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.8 mm -64.85 -48.35 84.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.348 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.54 -38.36 80.36 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.934 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.19 -36.41 58.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.98 0.419 . . . . 0.0 110.598 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' CYS . . . . . 0.448 ' SG ' HD23 ' B' ' 22' ' ' LEU . 52.9 t -67.97 -32.91 73.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.394 -176.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 1.106 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 6.0 mp -59.79 -42.75 94.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.669 0.271 . . . . 0.0 111.215 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 98' ' ' ARG . 23.8 ttt85 -66.87 -37.5 84.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.952 0.406 . . . . 0.0 110.376 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.74 -52.33 26.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.029 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 70.2 m -55.08 -37.57 66.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.525 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.41 ' HE1' ' HG3' ' B' ' 18' ' ' MET . 17.8 mmt -64.85 -44.63 89.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.754 0.312 . . . . 0.0 110.619 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 14.6 ttm -70.36 -23.8 62.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.994 0.426 . . . . 0.0 111.021 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -89.29 -12.15 41.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.541 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -106.49 -53.91 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 111.464 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.421 HG21 ' HB ' ' B' ' 8' ' ' ILE . 61.6 p -105.41 -23.0 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.18 0.514 . . . . 0.0 110.82 -177.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 98.46 -14.15 62.32 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.557 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 13.0 m -121.15 160.16 24.33 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -177.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 58.9 t -96.91 106.25 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.9 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -73.61 98.73 2.91 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 172.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -80.14 -19.29 47.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.688 -176.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.41 -49.33 67.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.898 0.38 . . . . 0.0 110.372 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -66.59 -50.68 62.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.072 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.644 ' HA ' HD23 ' B' ' 97' ' ' LEU . 19.8 m -54.65 -47.55 73.41 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.158 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . 0.487 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 11.1 t30 -66.41 -38.13 86.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.676 0.274 . . . . 0.0 110.664 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.479 ' HA ' HE21 ' B' ' 118' ' ' GLN . 9.2 tp10 -61.65 -45.26 94.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.608 -178.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.544 ' HA ' HD12 ' B' ' 119' ' ' LEU . 95.2 t -60.32 -38.77 78.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.993 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 30.4 mmt -64.01 -36.61 84.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 36.0 mt-30 -72.09 -43.83 64.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' B' ' 116' ' ' VAL . 12.2 mt -54.52 -54.67 38.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.166 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.99 -32.07 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.616 -173.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -74.89 -34.54 62.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 45.6 ttp -69.34 -41.48 76.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.35 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.37 -32.8 74.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.777 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 34.1 t -81.39 -0.31 40.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.168 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 120.999 0.428 . . . . 0.0 110.387 178.792 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.576 HG21 HG21 ' A' ' 105' ' ' THR . 11.6 pt . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.462 ' O ' HD13 ' A' ' 63' ' ' LEU . 41.4 m95 -78.35 25.61 0.23 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -177.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -85.83 -19.03 31.24 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 169.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -123.48 113.43 29.12 Favored Pre-proline 0 N--CA 1.455 -0.221 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.774 174.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -68.04 -32.76 27.35 Favored 'Trans proline' 0 C--N 1.333 -0.276 0 C-N-CA 122.639 2.226 . . . . 0.0 112.945 -171.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -77.29 -32.03 55.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.748 0.309 . . . . 0.0 110.8 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.58 -44.27 87.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.105 0.478 . . . . 0.0 109.867 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.13 -41.03 95.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.622 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 42.7 ttm -59.54 -33.19 71.08 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.992 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.6 m -65.04 -38.29 90.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.325 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.507 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -64.1 -38.37 90.83 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -63.18 -46.99 84.5 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.737 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -66.12 -44.23 84.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.764 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -60.58 -33.59 72.94 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.344 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.709 HD21 HD12 ' A' ' 97' ' ' LEU . 48.8 mt -62.69 -43.61 98.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.744 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.1 t -65.46 -38.84 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.441 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -63.6 -44.02 95.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.583 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.1 t -59.38 -49.09 79.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.847 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' HB1' ' SD ' ' A' ' 37' ' ' MET . . . -62.3 -39.18 92.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.025 0.44 . . . . 0.0 111.055 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.1 t -70.68 -28.86 65.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.601 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -87.38 -32.61 19.49 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.884 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 p -71.87 -48.69 44.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.023 0.44 . . . . 0.0 110.471 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.25 13.14 81.59 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.198 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.59 HG13 HD12 ' A' ' 32' ' ' LEU . 14.0 p -78.7 -19.11 13.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.205 0.526 . . . . 0.0 109.999 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 31' ' ' VAL . 6.3 mp -88.34 156.31 19.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.299 177.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.6 p -87.03 171.17 10.93 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.768 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.22 -39.16 81.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.828 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.82 -51.24 70.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.064 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.494 ' HB3' HG13 ' A' ' 77' ' ' VAL . 53.2 mt-30 -63.15 -39.95 96.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.06 -178.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.423 ' SD ' ' HB1' ' A' ' 26' ' ' ALA . 82.9 mmm -64.26 -41.23 97.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.833 -178.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -70.47 -34.62 72.6 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.674 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -63.31 -44.5 94.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.234 0.54 . . . . 0.0 109.804 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.402 ' O ' ' HB3' ' A' ' 43' ' ' MET . 56.5 mmm -60.06 -41.83 93.22 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.423 175.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.72 -44.43 97.92 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.243 177.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.618 ' SD ' ' HG3' ' B' ' 62' ' ' ARG . 45.3 ttp -63.76 -31.79 73.08 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 121.241 -0.184 . . . . 0.0 110.839 178.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.459 ' O ' HG23 ' A' ' 47' ' ' VAL . 45.0 ttp -58.46 -52.35 66.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.926 0.393 . . . . 0.0 110.35 176.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.38 89.17 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.312 0.577 . . . . 0.0 110.779 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.24 -40.69 90.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.46 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.5 t -59.69 -47.93 83.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.701 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.501 ' O ' ' HG2' ' A' ' 51' ' ' MET . 6.4 t -61.87 -40.12 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -63.47 -52.03 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.326 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -61.36 -36.93 81.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.507 -173.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 54' ' ' MET . 15.6 mm100 -70.33 -32.4 70.11 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.015 178.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.501 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 93.6 mmm -66.8 -36.22 81.87 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.628 179.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -80.26 -17.75 51.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.986 0.422 . . . . 0.0 110.674 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HZ1' ' CG ' ' B' ' 45' ' ' ASP . 3.0 mmmm -73.67 -38.13 65.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.294 0.569 . . . . 0.0 110.126 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.563 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 21.0 ptp -94.61 -165.72 1.36 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.591 -174.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -111.45 -162.52 17.33 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.249 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -76.98 -10.59 18.07 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.99 2.46 . . . . 0.0 113.189 -176.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -139.58 77.77 27.74 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.722 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.563 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 58.5 Cg_endo -71.23 162.49 42.33 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.976 2.451 . . . . 0.0 112.611 175.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.407 ' O ' ' HB3' ' A' ' 62' ' ' ARG . 40.1 Cg_endo -67.16 151.56 81.14 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.706 2.271 . . . . 0.0 111.802 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -69.35 -28.92 66.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.355 -175.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.624 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 19.9 p80 -66.71 -25.46 66.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.933 0.397 . . . . 0.0 110.476 178.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.531 ' NH1' ' HG3' ' A' ' 66' ' ' MET . 0.2 OUTLIER -61.95 -36.47 81.53 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 175.623 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 9' ' ' TRP . 66.8 mt -75.59 -36.89 60.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.703 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 28.3 ptt180 -68.94 -37.08 78.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.687 -178.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.01 -46.19 58.14 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.014 0.435 . . . . 0.0 111.032 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.531 ' HG3' ' NH1' ' A' ' 62' ' ' ARG . 96.0 mmm -69.19 -24.04 63.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.839 -178.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -56.69 -51.06 70.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.136 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.502 HG22 ' HB1' ' B' ' 72' ' ' ALA . 7.6 m -71.85 -36.85 70.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.498 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -58.77 -51.04 71.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.634 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.1 ttt -58.86 -46.48 87.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.733 0.301 . . . . 0.0 110.85 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.85 95.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.465 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.552 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -65.68 -34.82 79.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.573 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.487 ' O ' HG23 ' A' ' 77' ' ' VAL . 43.9 mt-10 -62.87 -49.67 73.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.024 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.8 t -57.07 -43.27 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 121.05 0.452 . . . . 0.0 110.672 177.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.42 98.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.989 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.679 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 44.7 tp10 -58.98 -37.28 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.224 176.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.494 HG13 ' HB3' ' A' ' 36' ' ' GLN . 59.3 t -65.54 -38.62 82.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.329 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.3 t -87.52 -40.94 14.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.423 ' HB2' HG23 ' A' ' 120' ' ' VAL . . . -66.28 -24.34 66.55 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -173.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.7 p -91.16 7.58 39.94 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 95.4 p -88.74 158.68 47.56 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.467 -177.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.12 141.45 96.46 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.49 2.127 . . . . 0.0 111.332 176.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.71 -16.15 53.06 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.499 2.133 . . . . 0.0 112.204 -173.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -80.41 -7.79 59.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.994 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.5 m -136.96 1.49 2.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.028 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -57.6 -51.89 67.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.17 -178.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 p -66.19 -33.81 76.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.185 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.87 -52.46 50.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.814 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.462 HG13 ' HG ' ' A' ' 32' ' ' LEU . 68.4 t -62.57 -42.02 94.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.347 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.862 HD11 HG11 ' A' ' 120' ' ' VAL . 28.3 tp -63.0 -43.47 98.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.828 -178.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -65.1 -37.73 88.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.649 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 73.9 m -64.58 -47.14 79.79 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.077 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.438 HG23 HD13 ' A' ' 97' ' ' LEU . 1.5 mm -64.09 -49.44 81.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 177.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.61 -42.39 96.11 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.335 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -67.18 -45.42 77.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.904 0.383 . . . . 0.0 110.867 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 69.3 m -72.33 -22.18 61.21 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.883 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.709 HD12 HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -56.69 -50.5 71.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.599 0.714 . . . . 0.0 109.335 172.611 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.445 ' HA ' ' CG2' ' A' ' 108' ' ' VAL . 29.0 ttt180 -57.4 -49.15 77.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.939 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 36.2 mt-10 -68.95 -40.73 78.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.407 -176.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.8 m -56.82 -45.62 82.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.342 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.433 ' SD ' ' HG3' ' A' ' 18' ' ' MET . 15.0 mmt -62.58 -40.58 97.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.946 0.403 . . . . 0.0 110.459 177.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 34.1 ttm -71.4 -26.71 62.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.157 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -82.88 -27.76 30.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.787 0.327 . . . . 0.0 110.883 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.51 -60.53 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.266 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.576 HG21 HG21 ' A' ' 8' ' ' ILE . 69.8 p -97.39 -36.74 10.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.996 0.427 . . . . 0.0 111.068 -176.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.33 -9.37 8.31 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 -176.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.5 p -149.22 160.3 43.5 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.445 ' CG2' ' HA ' ' A' ' 98' ' ' ARG . 2.7 p -93.69 119.45 41.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.109 0.48 . . . . 0.0 112.088 -175.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -76.93 134.85 38.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.413 173.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -86.85 -28.7 22.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.45 -51.59 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 111.318 -175.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -71.53 -44.58 64.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -178.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.62 ' HA ' HD23 ' A' ' 97' ' ' LEU . 30.1 m -61.69 -41.87 98.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -66.85 -41.77 86.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.492 178.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -55.91 -48.53 75.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.011 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.27 -39.46 80.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.308 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 30.4 mmt -68.35 -36.36 79.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.064 0.459 . . . . 0.0 110.465 -176.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -74.4 -38.27 63.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.707 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 72' ' ' ALA . 13.9 mt -60.04 -52.12 66.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.114 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.862 HG11 HD11 ' A' ' 90' ' ' LEU . 13.8 p -63.84 -33.25 60.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.534 -174.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -67.59 -49.24 64.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.361 176.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.434 ' HE1' HD23 ' B' ' 119' ' ' LEU . 34.8 ttp -65.43 -38.98 91.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.534 -177.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.507 HD21 HG21 ' B' ' 68' ' ' THR . 6.7 mp -62.55 -22.82 66.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 0.0 111.404 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.8 t . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.879 -178.449 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.734 0.302 . . . . 0.0 111.568 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -73.22 71.28 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.376 0.608 . . . . 0.0 111.989 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.9 p -128.93 -1.13 5.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.805 172.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -136.22 128.74 17.56 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.767 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -69.66 -43.92 2.45 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.528 2.152 . . . . 0.0 112.327 -175.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -66.57 -40.2 88.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.058 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.3 94.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.706 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.09 -42.21 89.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.815 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 43.8 ttm -59.61 -32.32 70.3 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.811 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 50.8 m -62.0 -40.62 96.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.321 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.529 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.99 -40.6 96.74 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.373 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.28 -44.55 96.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.722 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -65.84 -44.35 85.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.85 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -61.67 -32.57 72.76 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.263 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.798 HD21 HD12 ' B' ' 97' ' ' LEU . 40.0 mt -62.83 -42.59 99.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.762 0.315 . . . . 0.0 111.224 177.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 82.4 t -63.99 -39.41 85.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.476 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -60.08 -47.01 87.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.186 175.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 4.0 t -56.81 -49.53 75.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.286 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.0 90.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.913 0.387 . . . . 0.0 111.179 -178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 44.8 t -69.15 -38.83 79.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.002 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -83.49 -12.4 56.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.585 0.231 . . . . 0.0 111.393 -177.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.492 ' HB2' HG23 ' B' ' 31' ' ' VAL . 26.5 p -91.41 -41.63 10.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.87 0.366 . . . . 0.0 110.608 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.88 16.22 80.55 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.455 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.492 HG23 ' HB2' ' B' ' 29' ' ' SER . 29.5 t -77.56 -32.93 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.219 0.533 . . . . 0.0 110.379 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.563 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.5 mp -94.02 153.79 17.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.87 -175.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 40.9 p -87.83 175.01 8.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.709 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.45 -40.47 78.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.736 0.303 . . . . 0.0 111.159 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.567 ' O ' ' HB2' ' B' ' 39' ' ' ASP . 32.3 t70 -60.71 -39.88 90.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.751 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.563 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 51.8 mt-30 -75.83 -40.27 55.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.803 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 80.3 mmm -63.66 -47.96 79.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.0 -29.56 68.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.019 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.567 ' HB2' ' O ' ' B' ' 35' ' ' ASP . 2.4 t0 -64.11 -50.1 69.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.98 175.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.458 ' O ' ' HB3' ' B' ' 43' ' ' MET . 85.9 mtp -64.73 -30.65 71.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.689 176.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.58 -44.24 96.83 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.879 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 47.2 ttp -65.17 -30.59 71.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 0.0 110.363 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . 0.458 ' HB3' ' O ' ' B' ' 40' ' ' MET . 43.3 ttp -59.17 -52.35 66.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.641 175.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.68 94.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.118 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.433 ' CG ' ' HZ1' ' A' ' 53' ' ' LYS . 12.3 t70 -57.59 -45.17 85.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.04 177.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -56.9 -49.24 76.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 31.7 t -62.96 -43.81 99.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.832 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -64.37 -41.23 96.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.519 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 36.9 m -65.28 -45.83 82.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 -177.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.88 -35.6 81.64 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.959 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -57.16 -49.4 76.06 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.324 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -78.73 -14.35 59.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 111.368 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' B' ' 49' ' ' SER . 8.3 mmmm -71.13 -13.67 62.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.146 0.498 . . . . 0.0 110.623 173.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . 0.453 ' SD ' ' HD2' ' B' ' 62' ' ' ARG . 72.2 mtm -118.58 -175.58 2.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.514 -177.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -119.64 -168.05 13.8 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.0 141.34 96.2 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.876 2.384 . . . . 0.0 112.624 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 59.57 83.62 0.21 Allowed Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.248 -177.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -86.91 159.09 8.81 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.036 2.491 . . . . 0.0 112.227 178.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.408 ' HG2' ' CB ' ' B' ' 62' ' ' ARG . 17.8 Cg_endo -61.0 137.78 74.29 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.992 2.462 . . . . 0.0 112.157 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -75.28 -35.33 61.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.935 -174.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . 0.837 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 30.4 p80 -63.42 -27.57 69.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.408 0.623 . . . . 0.0 109.984 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.618 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 28.7 ttm180 -70.34 -27.1 64.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.199 0.523 . . . . 0.0 109.692 178.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 98.3 mt -74.92 -37.21 62.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.678 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.837 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 25.5 ptt180 -61.55 -37.48 83.93 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.679 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -67.68 -46.82 71.23 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.982 178.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 97.1 mmm -65.24 -30.89 71.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.84 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.422 ' HB3' ' O ' ' B' ' 64' ' ' ARG . 8.9 t-20 -53.27 -55.18 26.66 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.931 176.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.552 HG22 ' HB1' ' A' ' 72' ' ' ALA . 20.5 m -72.35 -28.3 62.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.933 -177.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -61.71 -54.57 40.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.552 176.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 18.8 ttt -57.83 -47.6 82.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.911 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.44 97.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.534 -178.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.502 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -67.58 -37.03 82.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.334 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 44.6 mt-10 -63.3 -46.22 87.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.509 178.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.465 ' O ' HG23 ' B' ' 78' ' ' VAL . 67.6 t -58.51 -47.89 87.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.851 0.358 . . . . 0.0 110.61 176.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.3 87.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.028 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.98 -48.84 80.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.185 177.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 73' ' ' GLU . 84.0 t -60.48 -35.77 65.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.34 -178.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 74' ' ' VAL . 61.6 t -78.31 -41.25 25.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.965 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.413 ' HA ' ' CE2' ' B' ' 86' ' ' TYR . . . -71.18 -44.46 65.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.54 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 3.1 m -84.27 68.48 10.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.611 0.72 . . . . 0.0 110.406 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 83.3 p -139.8 165.87 28.02 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.965 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.52 140.7 74.9 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 121.917 1.745 . . . . 0.0 111.103 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.07 -11.77 32.56 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.273 1.982 . . . . 0.0 111.863 -174.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -96.77 -6.47 36.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.716 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.437 ' O ' HG23 ' B' ' 89' ' ' VAL . 28.6 m -117.21 -13.9 10.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 -177.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . 0.442 ' OH ' HG22 ' B' ' 120' ' ' VAL . 17.9 t80 -48.34 -59.55 3.36 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.551 -178.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 9.3 m -59.87 -41.51 91.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.063 -174.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.82 -46.96 85.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.064 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 85' ' ' SER . 88.5 t -63.65 -43.89 98.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.384 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 tt -58.05 -49.36 77.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.417 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -60.85 -31.06 70.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.106 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 52.9 m -69.98 -57.6 4.82 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.095 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' B' ' 93' ' ' ILE . 3.2 mm -60.98 -45.54 98.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.248 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.95 -40.56 95.54 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 121.096 -0.573 . . . . 0.0 113.222 -177.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.16 -38.86 60.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.707 0.289 . . . . 0.0 111.23 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' CYS . . . . . 0.561 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 93.7 m -73.93 -27.09 60.85 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.325 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.798 HD12 HD21 ' B' ' 22' ' ' LEU . 0.8 OUTLIER -51.56 -40.31 59.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.394 0.616 . . . . 0.0 110.248 174.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.483 ' HG3' HG21 ' B' ' 108' ' ' VAL . 62.1 ttt-85 -66.16 -46.41 77.54 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.406 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.561 ' HG2' ' HA ' ' B' ' 96' ' ' CYS . 10.3 pt-20 -81.58 -30.79 32.87 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.599 -0.441 . . . . 0.0 111.781 -176.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 58.2 m -58.13 -42.49 85.91 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 120.718 0.295 . . . . 0.0 110.374 176.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.454 ' SD ' ' HG3' ' B' ' 18' ' ' MET . 12.5 mmt -65.1 -41.57 94.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.3 175.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 28.2 ttm -67.04 -28.49 68.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.133 -178.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' B' ' 99' ' ' GLU . 83.7 mm-40 -85.51 -16.95 37.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.976 0.417 . . . . 0.0 110.618 176.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.99 -47.66 7.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 70.1 p -110.75 -42.55 4.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.081 0.467 . . . . 0.0 111.071 -178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 130.7 -14.26 5.54 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -175.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 13.2 p -137.5 179.09 6.62 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.069 -0.565 . . . . 0.0 109.487 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.483 HG21 ' HG3' ' B' ' 98' ' ' ARG . 2.5 p -109.55 117.07 53.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.371 0.605 . . . . 0.0 111.79 -176.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -73.98 102.45 4.14 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.308 174.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -73.99 -27.6 61.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 -177.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.34 -50.27 68.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.913 0.387 . . . . 0.0 110.547 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.506 ' O ' HG23 ' B' ' 116' ' ' VAL . 90.6 t80 -64.88 -47.48 77.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.04 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.638 ' HA ' HD23 ' B' ' 97' ' ' LEU . 33.4 m -57.31 -45.52 84.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.404 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -64.38 -42.73 95.99 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.405 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.14 -44.43 94.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.105 -177.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.571 ' HA ' HD12 ' B' ' 119' ' ' LEU . 60.9 t -60.09 -35.93 64.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.843 0.354 . . . . 0.0 110.943 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 26.3 mmt -70.42 -35.16 73.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.999 0.428 . . . . 0.0 110.37 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -71.18 -39.92 71.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.321 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' B' ' 116' ' ' VAL . 15.2 mt -58.15 -53.55 56.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.257 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . 0.442 HG22 ' OH ' ' B' ' 86' ' ' TYR . 14.1 p -63.44 -34.05 65.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.997 -176.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -65.46 -48.02 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.778 176.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 34.5 ttp -62.63 -37.36 86.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.682 -177.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.401 HD13 ' O ' ' B' ' 119' ' ' LEU . 8.0 mp -61.53 -25.64 67.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.886 0.374 . . . . 0.0 111.198 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 34.3 t -102.66 6.13 39.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.908 0.385 . . . . 0.0 110.674 178.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.258 0.551 . . . . 0.0 111.168 -176.385 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.2 pt . . . . . 0 CA--C 1.533 0.299 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -76.61 78.33 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.711 0.767 . . . . 0.0 111.698 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.45 ' HA ' HD13 ' A' ' 63' ' ' LEU . 26.8 m -137.2 -34.36 0.72 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.811 171.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -101.54 114.85 65.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.277 171.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -59.69 -43.15 40.54 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.615 2.21 . . . . 0.0 111.814 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -68.11 -36.73 80.22 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.108 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.99 -41.8 95.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.457 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.52 86.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.379 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.523 ' HG2' ' ND2' ' A' ' 20' ' ' ASN . 42.0 ttm -60.89 -25.36 66.66 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.833 178.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.0 m -62.61 -41.0 98.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.194 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.617 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 7.5 ttt -64.9 -42.42 94.78 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 175.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -59.58 -44.26 93.4 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.857 -179.631 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.523 ' ND2' ' HG2' ' A' ' 16' ' ' MET . 28.8 m-80 -71.02 -45.54 63.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.366 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -61.06 -34.03 74.25 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.92 0.39 . . . . 0.0 110.613 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.669 HD11 HD12 ' A' ' 97' ' ' LEU . 12.2 tp -63.41 -48.64 76.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.207 177.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.482 HG22 ' HB3' ' A' ' 40' ' ' MET . 88.0 t -64.09 -41.34 92.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.772 178.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.661 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 47.2 mt-30 -60.39 -46.71 89.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.548 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.62 -48.44 77.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.761 0.315 . . . . 0.0 110.882 176.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.4 96.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.128 0.489 . . . . 0.0 111.079 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.2 t -66.85 -28.03 68.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.921 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.661 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 32.8 mtp180 -86.47 -45.11 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.502 ' HB2' HG23 ' A' ' 31' ' ' VAL . 19.0 p -58.63 -52.24 66.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.951 0.405 . . . . 0.0 110.563 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.71 19.51 70.61 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.279 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.502 HG23 ' HB2' ' A' ' 29' ' ' SER . 7.8 t -75.73 -26.41 17.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.681 0.753 . . . . 0.0 109.097 175.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.459 ' HG ' HG13 ' A' ' 89' ' ' VAL . 5.1 mp -93.99 152.31 18.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.376 -177.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.8 p -84.76 172.97 11.05 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.478 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.78 77.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.847 0.356 . . . . 0.0 110.836 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -60.61 -53.12 61.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.132 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.504 ' HB3' HG13 ' A' ' 77' ' ' VAL . 51.7 mt-30 -60.47 -38.92 85.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.817 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 78.3 mmm -64.9 -39.46 93.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.616 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.611 ' O ' ' HG2' ' A' ' 42' ' ' MET . 69.1 m-20 -64.4 -43.61 93.89 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.076 -0.249 . . . . 0.0 110.737 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -45.37 81.23 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.363 0.414 . . . . 0.0 110.762 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.514 ' O ' ' HB3' ' A' ' 43' ' ' MET . 90.4 mtp -70.08 -35.64 74.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.821 0.343 . . . . 0.0 111.174 178.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.85 -49.77 74.94 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.04 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.611 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 9.2 ptm -69.83 -20.82 63.42 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.222 -0.191 . . . . 0.0 111.121 178.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.514 ' HB3' ' O ' ' A' ' 40' ' ' MET . 54.0 ttp -59.26 -56.53 20.92 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 109.948 173.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.01 -39.64 90.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.567 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.576 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 6.5 t70 -59.16 -47.98 83.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.853 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.3 m -61.25 -41.32 96.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.833 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.502 ' HA ' ' HE1' ' A' ' 66' ' ' MET . 40.4 t -62.12 -36.3 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.277 0.56 . . . . 0.0 110.339 177.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.429 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 39.7 t-20 -66.02 -47.38 74.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.578 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 54.6 m -67.76 -25.94 65.87 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.559 ' O ' ' HG2' ' A' ' 54' ' ' MET . 16.7 mt-30 -81.99 -15.95 51.98 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.2 177.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.497 ' HA ' ' HG2' ' A' ' 54' ' ' MET . 34.2 mtp -74.35 -21.26 59.77 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 168.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -83.16 -27.85 29.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.476 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HE3' ' HB3' ' A' ' 53' ' ' LYS . 25.4 mmmt -67.48 -31.41 71.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.649 173.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.855 ' HB2' ' HB3' ' A' ' 58' ' ' PRO . 22.3 ptp -101.98 -165.73 1.22 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.629 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.404 ' O ' ' HD3' ' A' ' 58' ' ' PRO . . . -151.81 -147.58 4.61 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.368 -178.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -69.84 -14.15 35.44 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.372 2.715 . . . . 0.0 112.439 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -144.67 72.99 15.4 Favored Pre-proline 0 C--N 1.316 -0.873 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.83 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.855 ' HB3' ' HB2' ' A' ' 54' ' ' MET . 57.2 Cg_endo -71.4 159.03 52.76 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.82 2.347 . . . . 0.0 113.389 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.603 ' HG2' ' HG2' ' A' ' 62' ' ' ARG . 36.4 Cg_endo -66.84 129.43 20.87 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.925 2.417 . . . . 0.0 111.261 174.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -61.99 -20.02 63.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.843 -176.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.447 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 90.9 m-70 -62.11 -33.63 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.277 178.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.603 ' HG2' ' HG2' ' A' ' 59' ' ' PRO . 30.1 mmt180 -62.06 -42.57 99.33 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 10' ' ' THR . 93.9 mt -62.64 -48.91 77.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.035 -177.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 61' ' ' HIS . 4.0 ptm180 -64.34 -40.77 96.54 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.699 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.499 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -72.98 -44.71 60.74 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -177.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.502 ' HE1' ' HA ' ' A' ' 47' ' ' VAL . 79.0 mtp -71.71 -20.97 61.84 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.77 -176.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -55.59 -53.88 50.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.161 173.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.6 m -72.73 -34.04 66.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.624 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -59.31 -47.77 84.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.704 -178.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.1 ttt -61.53 -42.95 99.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.759 0.314 . . . . 0.0 110.866 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.49 86.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.202 -178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.563 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -63.49 -37.28 86.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.524 ' O ' HG23 ' A' ' 77' ' ' VAL . 47.7 mt-10 -65.22 -37.05 86.06 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.79 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.25 -45.1 86.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.002 0.43 . . . . 0.0 110.553 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.59 97.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.507 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.479 ' OE1' ' HA ' ' B' ' 65' ' ' ALA . 10.7 pt-20 -62.29 -35.88 80.38 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 73' ' ' GLU . 49.7 t -66.4 -45.86 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.91 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.82 -41.54 92.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.695 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.18 -30.91 70.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.755 -179.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.0 m -82.43 71.46 9.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.562 0.696 . . . . 0.0 110.404 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.4 ' HB3' ' NE2' ' A' ' 36' ' ' GLN . 73.9 p -154.56 167.95 12.91 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.974 178.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.89 134.81 62.65 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.649 1.566 . . . . 0.0 110.109 172.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.69 -13.06 34.48 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.43 2.086 . . . . 0.0 112.31 -171.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -88.81 -23.2 22.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.775 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 t -104.6 -10.63 17.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.22 0.534 . . . . 0.0 109.793 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -45.58 -53.79 8.58 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.474 176.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.1 m -59.14 -36.19 74.82 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.326 -177.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.75 62.08 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.942 0.401 . . . . 0.0 110.681 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.459 HG13 ' HG ' ' A' ' 32' ' ' LEU . 63.7 t -62.09 -43.34 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.092 178.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.74 -49.04 77.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.256 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -59.56 -40.59 87.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.07 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.2 m -67.16 -48.91 66.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -178.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.498 ' HA ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -63.79 -48.51 86.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.621 178.222 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.31 -43.35 75.6 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.503 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.474 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -69.39 -46.89 65.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.632 0.253 . . . . 0.0 111.02 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.1 m -70.02 -18.13 63.29 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -175.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 113' ' ' THR . 3.8 mp -63.35 -50.58 69.41 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.324 0.583 . . . . 0.0 109.728 172.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.562 ' HG3' HG21 ' A' ' 108' ' ' VAL . 68.9 ttt180 -59.99 -43.29 95.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.445 178.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 43.6 mt-10 -63.66 -50.26 69.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.983 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 71.6 m -55.18 -45.68 75.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.792 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.54 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 13.3 mmt -59.41 -43.13 93.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.066 0.46 . . . . 0.0 111.012 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.5 ttm -69.12 -25.99 64.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.198 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -88.96 -24.05 22.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.774 0.321 . . . . 0.0 111.089 178.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.88 -56.84 3.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.458 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 80.5 p -107.71 -29.68 8.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.037 0.446 . . . . 0.0 111.0 -176.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.77 -13.11 32.38 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.4 m -127.58 147.37 50.34 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.562 HG21 ' HG3' ' A' ' 98' ' ' ARG . 3.4 p -96.78 117.16 40.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.264 0.554 . . . . 0.0 111.343 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -77.99 113.41 15.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.343 172.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -81.66 -21.54 38.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.917 -175.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.78 -51.44 68.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.89 0.376 . . . . 0.0 110.63 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.58 -51.75 57.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.342 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.687 ' HA ' HD23 ' A' ' 97' ' ' LEU . 20.1 m -51.44 -47.09 63.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.976 178.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.545 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 65.2 t30 -69.73 -40.99 75.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.548 0.213 . . . . 0.0 110.721 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -56.87 -43.46 81.23 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.97 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.539 HG21 HD21 ' A' ' 97' ' ' LEU . 93.9 t -62.45 -36.86 76.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.83 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 23.4 mmt -67.39 -36.48 81.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.035 0.445 . . . . 0.0 109.909 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 114' ' ' ASN . 79.6 mt-30 -66.89 -49.84 64.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.829 176.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.3 mt -56.68 -50.09 73.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.859 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.8 p -65.17 -32.61 59.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.603 -173.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -73.49 -39.67 64.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.198 0.523 . . . . 0.0 110.182 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 35.2 ttp -70.35 -36.98 74.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.472 -177.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 80.0 mt -74.03 0.48 13.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.204 0.526 . . . . 0.0 111.339 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--N 1.32 -0.679 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.915 174.332 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.608 ' HB ' HG21 ' B' ' 105' ' ' THR . 3.5 pt . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . 0.422 ' CZ3' ' HB3' ' B' ' 66' ' ' MET . 91.0 m95 -79.23 29.35 0.22 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.137 0.494 . . . . 0.0 111.581 -177.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.1 m -88.91 -18.99 26.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.449 173.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.579 ' HB3' ' HB3' ' B' ' 14' ' ' ALA . 21.9 t-20 -131.44 125.33 20.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.745 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -69.01 -44.8 2.34 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.498 2.132 . . . . 0.0 112.798 -176.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -66.95 -41.31 87.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.96 0.409 . . . . 0.0 110.5 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' B' ' 11' ' ' ASN . . . -63.08 -43.62 98.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.782 178.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . 0.488 ' HA ' HD12 ' B' ' 8' ' ' ILE . . . -65.98 -38.93 89.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.356 177.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 47.3 ttm -61.77 -25.31 67.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.88 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.3 m -66.22 -35.47 80.51 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.783 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.2 OUTLIER -64.73 -43.33 93.72 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 175.135 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.2 -43.82 98.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.698 177.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -64.79 -50.48 66.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.964 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -62.38 -30.23 71.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.587 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.667 HD11 HD12 ' B' ' 97' ' ' LEU . 13.8 tp -63.63 -49.06 74.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.629 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.542 HG22 ' HB3' ' B' ' 40' ' ' MET . 59.6 t -63.46 -41.3 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.348 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 50.2 mt-30 -59.23 -48.09 82.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.723 177.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 49.3 t -61.8 -34.53 76.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.886 0.374 . . . . 0.0 110.745 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.94 79.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.109 0.481 . . . . 0.0 110.955 177.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 30.4 t -72.23 -32.29 66.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.188 0.518 . . . . 0.0 110.353 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' B' ' 24' ' ' GLN . 58.8 mtp85 -71.6 -32.44 68.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.107 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.402 ' HB2' HG23 ' B' ' 31' ' ' VAL . 15.3 p -80.07 -49.79 11.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.469 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.87 26.8 52.56 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.694 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' B' ' 29' ' ' SER . 20.2 t -84.37 -27.64 7.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.319 0.581 . . . . 0.0 110.59 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.428 ' N ' HD12 ' B' ' 32' ' ' LEU . 5.5 mp -92.19 155.17 18.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.371 -171.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 56.7 p -84.14 171.73 12.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.645 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.32 88.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.502 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.422 ' HA ' ' HE1' ' A' ' 61' ' ' HIS . 3.0 t70 -60.81 -40.21 91.84 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.064 0.459 . . . . 0.0 109.914 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.431 ' HB3' HG13 ' B' ' 77' ' ' VAL . 52.0 mt-30 -71.47 -42.06 68.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.674 178.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 85.7 mmm -64.98 -43.54 92.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.322 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.438 ' O ' ' HG2' ' B' ' 42' ' ' MET . 27.6 m-20 -62.17 -42.06 98.91 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.211 176.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.433 ' HB3' HG22 ' B' ' 77' ' ' VAL . 3.8 t70 -59.52 -45.24 92.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.134 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.566 ' O ' ' HB3' ' B' ' 43' ' ' MET . 90.9 mtp -68.8 -36.48 78.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.122 177.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.3 -51.14 60.6 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.626 177.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.501 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 4.8 ptm -74.13 -15.29 61.04 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.03 178.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . 0.566 ' HB3' ' O ' ' B' ' 40' ' ' MET . 49.5 ttp -60.43 -51.38 69.73 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 171.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.65 -33.89 76.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.204 176.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.501 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 22.3 t70 -66.11 -36.44 83.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.909 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 38.7 m -67.95 -38.28 82.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 0.0 110.205 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 43' ' ' MET . 52.7 t -62.7 -41.54 92.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 121.413 0.625 . . . . 0.0 109.42 173.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.86 -42.84 94.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.35 175.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 50.6 m -63.83 -30.62 71.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.288 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.627 ' O ' ' HG2' ' B' ' 54' ' ' MET . 17.6 mt-30 -81.83 -19.24 41.51 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.071 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . 0.567 ' HA ' ' HG2' ' B' ' 54' ' ' MET . 22.5 mtp -76.87 -27.68 55.14 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.978 175.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -85.11 -17.63 36.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.064 0.459 . . . . 0.0 110.272 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -73.06 -33.09 65.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.808 170.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . 0.627 ' HG2' ' O ' ' B' ' 50' ' ' GLN . 23.1 ptp -97.33 -159.95 0.77 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.39 174.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . 0.428 ' HA3' ' HD2' ' B' ' 56' ' ' PRO . . . -176.85 -138.46 2.94 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.518 178.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' PRO . . . . . 0.428 ' HD2' ' HA3' ' B' ' 55' ' ' GLY . 38.7 Cg_endo -65.49 112.34 2.11 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.559 2.172 . . . . 0.0 111.415 176.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 64.77 86.51 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.255 -175.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.498 ' HB3' ' HB2' ' B' ' 54' ' ' MET . 97.0 Cg_endo -85.34 161.77 11.23 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.708 2.272 . . . . 0.0 113.333 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.614 ' HG2' ' HG2' ' B' ' 62' ' ' ARG . 55.3 Cg_endo -72.93 137.73 27.28 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.852 2.368 . . . . 0.0 112.06 177.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -57.22 -32.98 67.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.788 -177.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . 0.408 ' CE1' ' HB2' ' A' ' 38' ' ' ASP . 95.1 m-70 -56.74 -40.07 75.1 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.831 0.348 . . . . 0.0 111.236 -178.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.614 ' HG2' ' HG2' ' B' ' 59' ' ' PRO . 36.8 mmt180 -60.85 -40.58 93.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.849 -177.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.02 -40.56 78.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.59 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.453 ' HG2' ' OE2' ' A' ' 76' ' ' GLU . 14.4 ttp-105 -59.76 -46.77 88.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.115 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.479 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -68.91 -37.45 78.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.178 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.422 ' HB3' ' CZ3' ' B' ' 9' ' ' TRP . 0.0 OUTLIER -59.84 -38.32 81.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.251 179.35 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.508 HD22 ' C ' ' B' ' 67' ' ' ASN . 0.2 OUTLIER -55.98 -50.74 69.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.119 178.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.563 HG22 ' HB1' ' A' ' 72' ' ' ALA . 1.9 m -74.12 -42.6 59.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.087 -177.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -60.12 -53.34 58.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.622 -177.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.3 ttt -59.5 -43.33 93.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.826 0.346 . . . . 0.0 110.992 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . 0.408 ' HB2' ' CE1' ' B' ' 112' ' ' PHE . . . -65.3 -43.38 91.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.5 -35.45 79.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.972 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.576 ' O ' HG23 ' B' ' 77' ' ' VAL . 47.6 mt-10 -62.74 -43.41 98.87 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 110.316 177.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.84 -45.4 98.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.063 0.458 . . . . 0.0 110.712 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.27 -43.25 99.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.552 -178.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.499 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 6.4 pt-20 -67.91 -34.67 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.428 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 73' ' ' GLU . 55.6 t -61.33 -41.11 88.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.906 0.384 . . . . 0.0 110.261 176.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.7 t -73.71 -49.96 32.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.788 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.58 91.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.838 -177.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 8.3 m -84.55 74.5 10.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.542 0.687 . . . . 0.0 110.338 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.3 p -153.54 169.26 10.12 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 114.883 -1.053 . . . . 0.0 108.518 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.98 137.45 72.19 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.768 1.646 . . . . 0.0 110.678 172.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.56 -17.54 58.86 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.429 2.086 . . . . 0.0 111.94 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -74.02 -22.91 59.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.131 178.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 5.9 p -117.37 -7.43 11.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.518 -176.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -51.96 -51.04 59.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.759 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 12.5 p -63.26 -39.55 94.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.179 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.09 77.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.768 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.16 -42.26 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.359 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 tt -58.55 -54.1 50.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.748 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -61.25 -36.61 80.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.825 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.8 m -64.8 -53.33 48.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.66 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.7 OUTLIER -58.25 -44.19 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.025 179.036 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.99 -39.01 91.28 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.728 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.11 -43.74 56.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.759 0.314 . . . . 0.0 110.496 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 90.2 m -58.91 -38.19 78.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.316 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.783 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 1.9 mp -54.6 -49.47 70.37 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.648 0.261 . . . . 0.0 111.43 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -59.94 -45.83 91.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.564 -176.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.25 -44.68 68.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.083 -177.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 69.2 m -52.81 -38.98 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 12.4 mmt -62.15 -49.08 77.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.888 0.375 . . . . 0.0 110.902 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 29.6 ttm -67.42 -28.61 68.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -87.1 -0.95 57.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.304 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -112.0 -54.16 2.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.332 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.608 HG21 ' HB ' ' B' ' 8' ' ' ILE . 81.4 p -109.54 -17.08 13.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.115 0.483 . . . . 0.0 111.281 -176.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.25 -3.83 76.63 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.556 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 14.8 m -131.8 156.6 45.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 75.2 t -103.5 114.71 43.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.876 0.37 . . . . 0.0 110.865 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -84.71 130.27 34.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.217 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -92.68 -27.33 17.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.182 -177.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.2 86.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.989 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.439 ' O ' HG23 ' B' ' 116' ' ' VAL . 83.0 t80 -71.5 -51.11 25.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.323 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.633 ' HA ' HD23 ' B' ' 97' ' ' LEU . 18.2 m -56.05 -39.66 72.36 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.374 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -74.04 -39.76 63.3 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.443 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.76 -46.0 88.46 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.478 HG21 HD21 ' B' ' 97' ' ' LEU . 87.7 t -59.02 -40.29 80.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.28 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 27.1 mmt -65.19 -37.75 88.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -71.16 -44.63 65.14 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' B' ' 116' ' ' VAL . 9.7 mt -52.67 -49.29 65.53 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.484 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.4 p -71.65 -40.64 70.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.686 -173.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -67.61 -33.25 74.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.773 0.32 . . . . 0.0 110.74 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 42.7 ttp -62.2 -46.47 88.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.688 178.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 98.5 mt -68.69 -26.17 65.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.732 -179.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 40.9 t -71.65 -22.39 61.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.166 0.507 . . . . 0.0 110.74 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.002 -176.389 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.511 HG21 HG21 ' A' ' 105' ' ' THR . 5.6 pt . . . . . 0 C--O 1.234 0.277 0 CA-C-O 120.731 0.3 . . . . 0.0 111.407 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -77.18 41.85 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.353 0.597 . . . . 0.0 111.655 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.4 p -105.83 -11.25 16.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.954 170.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.48 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 34.3 m-80 -127.1 124.0 23.68 Favored Pre-proline 0 N--CA 1.455 -0.214 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.461 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 11' ' ' ASN . 16.1 Cg_exo -65.04 -47.51 4.66 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.948 2.432 . . . . 0.0 113.175 -175.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -78.59 -33.62 47.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.958 -176.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.57 92.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.117 0.484 . . . . 0.0 110.545 177.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -38.43 80.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.548 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 42.0 ttm -61.17 -32.09 71.83 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.55 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.0 m -61.57 -37.05 82.42 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.987 177.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.974 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -69.3 -43.37 73.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.535 178.5 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -59.34 -44.7 92.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.356 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -60.89 -46.8 89.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.011 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.58 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 95.6 m-20 -63.84 -31.92 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.346 -178.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.5 HD21 HD12 ' A' ' 97' ' ' LEU . 21.4 mt -65.41 -41.52 93.52 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.482 176.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.73 -52.09 63.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.475 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.58 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 4.1 pt20 -60.36 -39.01 85.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.222 0.534 . . . . 0.0 110.346 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.8 t -65.29 -41.39 94.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.629 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.522 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -66.71 -40.53 88.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.745 177.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.2 t -64.89 -36.79 85.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.546 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -66.87 -49.53 65.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.121 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 p -63.39 -49.18 74.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -177.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.79 22.0 78.67 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.165 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.425 ' CG1' HD12 ' A' ' 32' ' ' LEU . 14.6 p -84.3 -15.86 10.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.438 0.637 . . . . 0.0 109.513 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.522 HD13 ' HB1' ' A' ' 26' ' ' ALA . 5.0 mp -99.06 156.32 16.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.079 178.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.9 p -93.12 174.73 7.08 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.611 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.33 -36.23 81.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.828 0.347 . . . . 0.0 110.638 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -53.55 -54.94 30.2 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.794 174.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.656 ' HB3' HG13 ' A' ' 77' ' ' VAL . 46.2 mt-30 -67.81 -37.68 82.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.443 -178.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 85.0 mmm -66.15 -37.51 85.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.488 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.433 ' HB3' ' HE1' ' B' ' 61' ' ' HIS . 27.7 t70 -76.27 -30.53 57.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.178 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.421 ' OD2' ' HB2' ' B' ' 65' ' ' ALA . 1.5 m-20 -58.78 -50.59 73.37 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.982 172.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.486 ' O ' ' HB3' ' A' ' 43' ' ' MET . 91.2 mtp -67.27 -31.38 71.68 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.614 177.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.17 -45.52 95.86 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.743 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 49.3 ttp -66.67 -30.62 70.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 110.528 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.486 ' HB3' ' O ' ' A' ' 40' ' ' MET . 46.9 ttp -56.04 -53.7 53.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.989 0.424 . . . . 0.0 110.484 176.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.86 97.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.528 178.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -60.96 -39.73 90.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.169 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.6 t -62.25 -48.94 77.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.922 0.392 . . . . 0.0 110.637 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 43' ' ' MET . 24.0 t -59.87 -35.55 61.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.133 178.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -72.16 -49.96 31.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.205 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.627 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 39.0 m -63.22 -32.05 73.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.708 -174.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.491 ' HG3' ' HE2' ' A' ' 54' ' ' MET . 5.1 tp-100 -66.33 -36.16 82.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.114 0.483 . . . . 0.0 109.819 177.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.0 mtp -75.29 -36.36 61.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.603 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.627 ' HG2' ' HA ' ' A' ' 49' ' ' SER . 9.9 pt20 -74.39 -18.27 60.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.041 0.448 . . . . 0.0 110.938 178.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -76.0 -46.84 27.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.795 174.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.822 ' HE1' ' HD3' ' A' ' 62' ' ' ARG . 62.4 mtm -85.03 -177.22 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.191 -174.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -105.45 -154.2 21.74 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.253 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.97 137.23 37.24 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.512 2.141 . . . . 0.0 112.359 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 60.66 81.83 0.23 Allowed Pre-proline 0 N--CA 1.463 0.215 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.429 -178.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.82 158.3 51.7 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.498 2.132 . . . . 0.0 111.929 175.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.515 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 24.3 Cg_endo -61.65 139.09 79.18 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.927 2.418 . . . . 0.0 112.029 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -60.87 -32.52 71.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.323 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -68.1 -21.92 64.93 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.84 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.822 ' HD3' ' HE1' ' A' ' 54' ' ' MET . 0.5 OUTLIER -64.91 -37.64 88.32 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 176.017 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.436 HD23 HH21 ' A' ' 62' ' ' ARG . 47.4 mt -70.12 -34.78 73.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.427 177.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.448 HH22 ' HA ' ' B' ' 36' ' ' GLN . 2.9 tmm_? -61.59 -38.28 87.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.654 174.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.467 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -76.75 -51.09 12.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.522 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 89.5 mmm -67.96 -23.45 65.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.02 -173.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -56.3 -57.29 12.87 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.538 HG22 ' HB1' ' B' ' 72' ' ' ALA . 6.8 m -68.32 -35.22 77.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.793 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.9 -59.03 6.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.852 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.41 ' HG3' ' SD ' ' A' ' 43' ' ' MET . 21.1 ttt -57.59 -45.52 85.18 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.043 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.37 88.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.502 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.59 -38.26 80.5 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.358 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 77' ' ' VAL . 48.8 mt-10 -61.86 -48.32 81.06 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.216 -0.194 . . . . 0.0 110.643 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 78' ' ' VAL . 47.0 t -57.24 -47.68 83.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.883 0.373 . . . . 0.0 110.571 176.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.19 -42.99 92.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.794 ' OE1' ' HA ' ' B' ' 65' ' ' ALA . 0.6 OUTLIER -62.66 -46.38 88.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.656 177.26 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.656 HG13 ' HB3' ' A' ' 36' ' ' GLN . 56.4 t -54.1 -39.34 41.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.582 178.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.468 HG22 HG12 ' A' ' 89' ' ' VAL . 77.1 t -73.14 -47.5 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.197 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.435 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . . . -65.3 -30.12 70.94 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -174.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 m -90.92 19.98 5.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.211 0.529 . . . . 0.0 111.485 -175.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.4 ' OG ' ' HA ' ' A' ' 86' ' ' TYR . 79.7 p -90.03 162.88 34.01 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 176.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.27 145.46 87.13 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.162 1.908 . . . . 0.0 111.282 173.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -64.36 -13.34 37.75 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.405 2.07 . . . . 0.0 112.324 -175.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -81.76 -14.81 55.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.882 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.2 m -132.13 4.91 4.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.848 -174.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' A' ' 79' ' ' ALA . 18.4 t80 -59.21 -51.61 69.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.0 t -71.37 -27.28 63.23 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.38 -51.37 52.81 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.705 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.468 HG12 HG22 ' A' ' 78' ' ' VAL . 62.8 t -64.03 -40.65 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.6 tt -58.29 -54.15 50.27 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.624 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -57.33 -40.82 78.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.034 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.9 m -62.21 -52.92 61.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.453 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.436 ' HA ' HD13 ' A' ' 93' ' ' ILE . 1.3 mm -65.93 -50.01 72.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.85 -33.1 71.85 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.161 -0.543 . . . . 0.0 113.348 -175.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.58 -35.93 26.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.787 0.327 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.9 t -79.27 -20.57 47.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.213 -173.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.974 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 3.5 mp -57.85 -41.91 83.34 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.065 0.459 . . . . 0.0 110.386 175.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.585 ' HG3' HG21 ' A' ' 108' ' ' VAL . 79.3 ttt180 -63.71 -37.72 88.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.285 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -73.15 -50.78 20.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.0 m -55.09 -41.02 71.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.4 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.458 ' SD ' ' HG3' ' A' ' 18' ' ' MET . 9.9 mmt -62.57 -47.77 82.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.934 0.397 . . . . 0.0 111.009 177.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.8 ttm -68.14 -32.98 73.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.239 -176.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -81.99 -12.13 58.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.858 0.361 . . . . 0.0 110.959 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.59 -60.87 1.67 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.813 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.511 HG21 HG21 ' A' ' 8' ' ' ILE . 65.2 p -93.85 -51.32 4.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.509 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 139.11 -25.75 2.76 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -175.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 48.0 m -120.1 -174.82 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.585 HG21 ' HG3' ' A' ' 98' ' ' ARG . 4.8 p -117.51 123.4 71.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.301 178.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -75.13 97.82 3.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.86 173.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -72.56 -28.91 63.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.579 -175.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.88 87.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.451 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 116' ' ' VAL . 76.8 t80 -67.46 -51.7 48.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.103 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.699 ' HA ' HD23 ' A' ' 97' ' ' LEU . 13.1 m -54.37 -44.17 72.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.603 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 51.0 t-20 -67.16 -47.87 69.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.251 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.1 -44.59 83.35 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.438 -176.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.455 HG21 HD21 ' A' ' 97' ' ' LEU . 94.6 t -60.36 -36.22 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.37 . . . . 0.0 111.013 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.441 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 25.2 mmt -73.28 -23.53 60.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.643 -177.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 25.8 mm-40 -87.76 -34.58 18.28 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 18.7 mt -59.15 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.016 176.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.16 -34.67 72.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.189 -177.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 117' ' ' MET . 95.9 mttt -71.42 -37.51 71.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.144 177.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 50.3 ttp -70.21 -37.77 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.012 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 84.3 mt -72.89 0.91 9.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.274 0.559 . . . . 0.0 110.694 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.861 177.035 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.48 ' CG2' HG21 ' B' ' 105' ' ' THR . 12.6 pt . . . . . 0 C--O 1.235 0.329 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -73.17 81.86 1.3 Allowed 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 122.152 0.977 . . . . 0.0 110.715 176.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 85.6 m -152.4 -38.52 0.11 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 113.988 -1.46 . . . . 0.0 107.719 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -99.06 117.75 63.75 Favored Pre-proline 0 N--CA 1.452 -0.335 0 CA-C-N 114.854 -1.067 . . . . 0.0 108.697 170.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -59.96 -51.57 5.57 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.805 2.337 . . . . 0.0 112.46 -172.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -67.11 -36.18 81.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.316 -176.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.76 -33.6 68.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.016 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.81 -34.61 60.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.538 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 43.5 ttm -60.79 -28.18 68.56 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.803 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m -58.77 -40.67 84.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.787 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.437 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 10.3 ttt -64.14 -43.84 93.97 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 178.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -60.96 -44.1 97.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.379 0.609 . . . . 0.0 110.471 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -65.02 -46.05 82.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.366 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -67.86 -29.21 68.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.267 -176.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.681 HD21 HD12 ' B' ' 97' ' ' LEU . 40.9 mt -63.4 -47.02 83.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.814 176.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 67.4 t -61.42 -39.91 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.337 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.595 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 24.9 mt-30 -58.01 -48.9 78.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.328 175.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . 0.471 ' HA ' ' NE ' ' B' ' 28' ' ' ARG . 6.4 t -59.36 -49.63 77.09 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.543 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.03 -38.15 85.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.429 -177.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 43.5 t -67.05 -20.76 65.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.36 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' B' ' 24' ' ' GLN . 49.4 mtm180 -82.16 -53.55 5.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.282 0.563 . . . . 0.0 109.949 176.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.578 ' HB2' HG23 ' B' ' 31' ' ' VAL . 51.3 p -57.21 -48.12 79.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.121 -171.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.73 20.51 79.79 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.045 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' B' ' 29' ' ' SER . 23.5 t -80.67 -27.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.438 0.637 . . . . 0.0 109.51 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.413 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.6 mp -93.06 152.72 19.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.702 -175.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 40.5 p -83.16 174.37 10.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.65 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.3 94.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.91 0.386 . . . . 0.0 110.485 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -57.17 -44.21 83.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.444 177.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.448 ' HA ' HH22 ' A' ' 64' ' ' ARG . 53.3 mt-30 -70.7 -43.59 68.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.057 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 81.3 mmm -63.33 -46.18 87.84 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.377 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -66.44 -28.78 68.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.104 0.478 . . . . 0.0 110.237 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.402 ' OD1' ' HB2' ' A' ' 65' ' ' ALA . 5.5 t70 -68.79 -44.02 74.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.185 176.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' B' ' 43' ' ' MET . 91.6 mtp -66.45 -38.71 87.96 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.948 177.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.1 -41.98 99.63 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.535 175.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.489 ' SD ' ' HG3' ' A' ' 62' ' ' ARG . 52.5 ttp -63.75 -36.46 83.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.941 0.401 . . . . 0.0 110.227 176.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . 0.412 ' HB3' ' O ' ' B' ' 40' ' ' MET . 41.1 ttp -58.56 -49.09 78.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.001 176.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.15 93.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.034 0.445 . . . . 0.0 110.642 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.13 -37.89 89.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.444 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -59.23 -46.7 87.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.419 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 39.5 t -62.85 -42.93 98.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.119 0.485 . . . . 0.0 110.094 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -58.92 -43.26 91.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.426 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.487 ' HA ' ' HG2' ' B' ' 52' ' ' GLN . 35.5 m -62.46 -28.72 70.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.443 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -76.12 -23.67 54.9 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.29 -179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 40.2 mtp -82.62 -16.48 48.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.533 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.487 ' HG2' ' HA ' ' B' ' 49' ' ' SER . 11.0 pt20 -93.68 -12.09 30.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.581 . . . . 0.0 109.765 173.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 45.8 mmtt -78.9 -51.73 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.805 170.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . 0.492 ' HB3' ' HB3' ' B' ' 58' ' ' PRO . 43.9 mtm -91.85 110.37 21.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.448 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.12 -95.8 1.16 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.977 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.21 110.38 2.86 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.865 2.377 . . . . 0.0 112.925 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 59.03 88.79 0.12 Allowed Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.739 175.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.492 ' HB3' ' HB3' ' B' ' 54' ' ' MET . 67.2 Cg_endo -76.83 155.37 34.57 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.311 2.008 . . . . 0.0 113.464 -178.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.458 ' HG2' ' HB2' ' B' ' 62' ' ' ARG . 41.2 Cg_endo -69.62 129.86 18.48 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 123.476 2.784 . . . . 0.0 112.103 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.42 -41.51 98.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.639 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . 0.557 ' O ' ' HB3' ' B' ' 64' ' ' ARG . 22.3 p80 -63.78 -23.12 67.24 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.963 0.411 . . . . 0.0 110.94 -178.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.458 ' HB2' ' HG2' ' B' ' 59' ' ' PRO . 9.2 ttt180 -74.98 -33.31 61.86 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -177.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.27 -30.8 67.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.625 172.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.557 ' HB3' ' O ' ' B' ' 61' ' ' HIS . 1.5 tmm_? -59.01 -45.67 90.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.423 175.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.794 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -68.28 -34.62 76.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.286 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 96.2 mmm -68.52 -30.16 68.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.755 177.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.484 ' HB3' ' O ' ' B' ' 64' ' ' ARG . 13.6 t-20 -56.63 -54.06 50.47 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.45 174.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.452 HG21 ' HB2' ' A' ' 76' ' ' GLU . 4.6 m -63.83 -37.19 86.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.734 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.68 -54.72 38.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.989 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.8 ttt -57.96 -48.26 80.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.277 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . 0.44 ' HB2' ' CE2' ' B' ' 112' ' ' PHE . . . -62.23 -42.65 99.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.223 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.538 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -67.37 -40.77 85.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.554 ' O ' HG23 ' B' ' 77' ' ' VAL . 42.0 mt-10 -61.92 -51.16 69.28 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.791 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 38.7 t -54.96 -48.47 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 111.015 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.88 98.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.037 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.467 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -69.91 -30.26 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.181 179.506 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.554 HG23 ' O ' ' B' ' 73' ' ' GLU . 64.5 t -63.77 -43.22 97.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.074 0.464 . . . . 0.0 110.131 173.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.54 -46.88 68.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.922 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.01 81.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.706 -177.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 11.1 m -83.83 77.53 9.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.277 0.56 . . . . 0.0 110.357 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.0 p -157.84 167.88 13.59 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.117 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.94 142.33 92.6 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.0 1.8 . . . . 0.0 110.776 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -62.75 -20.33 70.8 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.401 2.068 . . . . 0.0 111.995 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -80.42 -15.42 56.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.806 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 21.0 m -112.52 -19.4 12.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.682 -177.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -49.04 -51.31 31.88 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.341 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 32.9 t -61.1 -43.26 99.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.734 0.302 . . . . 0.0 111.002 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.65 84.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.057 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.44 -44.59 98.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.051 0.453 . . . . 0.0 110.079 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.34 -50.74 72.55 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.494 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -59.69 -34.69 73.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.146 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 91.7 m -67.09 -51.39 54.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.486 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.482 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.6 mm -66.02 -46.36 88.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.228 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.6 -40.17 92.1 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.647 -178.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' B' ' 99' ' ' GLU . . . -70.62 -48.88 52.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.805 0.336 . . . . 0.0 110.784 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 61.4 m -71.0 -18.49 62.59 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.681 HD12 HD21 ' B' ' 22' ' ' LEU . 1.1 tp -57.2 -51.53 68.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.547 0.689 . . . . 0.0 109.59 172.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.512 ' HG3' HG21 ' B' ' 108' ' ' VAL . 48.2 ttt180 -59.32 -48.68 80.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.535 177.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' B' ' 95' ' ' ALA . 11.5 mm-40 -59.96 -45.93 91.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.204 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 75.0 m -55.63 -43.96 76.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.106 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.586 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 14.7 mmt -63.24 -40.66 98.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.515 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . 0.46 ' O ' ' HA2' ' B' ' 106' ' ' GLY . 8.9 ttm -70.75 -22.79 62.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.892 0.377 . . . . 0.0 111.273 -177.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -90.11 -34.58 15.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.81 0.338 . . . . 0.0 110.84 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.75 -59.67 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.384 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.48 HG21 ' CG2' ' B' ' 8' ' ' ILE . 74.1 p -103.86 -31.1 9.95 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.039 -177.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' B' ' 102' ' ' MET . . . 103.45 -2.04 46.35 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -175.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 6.3 m -136.24 132.22 35.54 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -178.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.586 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 3.1 p -86.8 110.37 20.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.36 0.6 . . . . 0.0 111.218 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -77.14 125.05 28.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.877 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -89.2 -16.75 30.58 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.306 -177.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.2 -55.09 15.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.653 -0.248 . . . . 0.0 110.649 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.44 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 59.4 t80 -63.47 -46.18 87.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.917 0.389 . . . . 0.0 110.202 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.573 ' HA ' HD23 ' B' ' 97' ' ' LEU . 90.1 m -58.07 -44.08 87.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.089 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . 0.415 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 11.0 t30 -69.59 -37.97 77.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.94 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -60.02 -42.82 95.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.345 -178.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.489 ' HA ' HD12 ' B' ' 119' ' ' LEU . 77.6 t -60.29 -38.55 77.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.639 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 31.3 mmt -66.41 -38.4 87.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.445 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 45.0 mt-30 -65.66 -45.31 83.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.048 0.451 . . . . 0.0 110.241 177.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' B' ' 116' ' ' VAL . 18.5 mt -58.25 -48.9 78.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.36 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 11.9 p -70.63 -29.62 38.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.621 -174.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -76.74 -39.76 50.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.716 0.293 . . . . 0.0 110.694 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -63.91 -43.46 95.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 80.7 mt -69.45 -10.65 58.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.457 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 26.6 t -107.47 6.25 27.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.078 0.466 . . . . 0.0 110.324 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.437 0 CA-C-O 121.169 0.509 . . . . 0.0 111.417 -176.51 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.49 HG21 HG21 ' A' ' 105' ' ' THR . 14.6 pt . . . . . 0 C--O 1.235 0.315 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -79.59 67.55 5.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.403 0.62 . . . . 0.0 112.21 -173.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.9 t -126.6 -13.83 5.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.377 170.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -126.21 125.04 24.63 Favored Pre-proline 0 CA--C 1.518 -0.251 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.833 177.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -67.74 -38.94 12.6 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.896 2.398 . . . . 0.0 113.045 -173.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -76.78 -35.34 57.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.788 0.327 . . . . 0.0 110.784 -177.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.05 94.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.05 0.452 . . . . 0.0 110.482 177.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.05 -38.71 75.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.923 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.405 ' HE3' ' HB2' ' A' ' 16' ' ' MET . 52.0 ttm -60.98 -29.17 69.51 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.796 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.9 m -66.99 -35.69 80.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.962 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -65.09 -40.89 95.24 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 176.858 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.45 -41.33 96.61 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.65 177.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -62.55 -48.32 80.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -62.65 -32.0 72.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.558 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 18' ' ' MET . 49.4 mt -60.81 -47.13 87.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 111.256 177.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.5 -34.03 67.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.153 0.502 . . . . 0.0 110.31 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -70.31 -41.3 73.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.299 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.605 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 13.8 p -72.66 -34.84 67.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.958 0.409 . . . . 0.0 110.081 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.58 -37.25 86.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.079 0.466 . . . . 0.0 110.659 174.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.7 t -74.74 -23.14 58.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.328 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' A' ' 25' ' ' CYS . 9.8 ptt180 -87.22 -22.95 24.93 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.495 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.8 p -85.56 -59.3 2.35 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.902 0.382 . . . . 0.0 110.456 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.38 17.18 69.5 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.074 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.403 HG11 ' OG1' ' A' ' 92' ' ' THR . 12.4 p -79.59 -22.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.284 0.564 . . . . 0.0 110.138 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.494 ' HG ' HG13 ' A' ' 89' ' ' VAL . 5.1 mp -89.57 156.89 18.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.033 178.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.7 p -80.27 167.14 20.65 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.78 -31.67 72.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.975 0.417 . . . . 0.0 110.004 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.89 -43.51 86.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.713 175.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -74.69 -34.38 62.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.037 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 86.2 mmm -64.77 -42.68 94.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.063 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.4 -31.49 68.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.985 0.422 . . . . 0.0 109.942 177.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.493 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -58.16 -50.81 72.21 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.019 175.031 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.596 ' HG3' HG11 ' A' ' 77' ' ' VAL . 90.5 mtp -68.65 -35.09 76.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.126 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.21 -43.31 99.55 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.713 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.0 tmm? -65.95 -33.32 75.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.668 0.27 . . . . 0.0 110.749 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.449 ' O ' HG23 ' A' ' 47' ' ' VAL . 40.6 ttp -57.47 -49.32 76.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.918 0.389 . . . . 0.0 110.572 176.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.4 -36.52 84.2 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.266 0.555 . . . . 0.0 110.427 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.92 -40.65 98.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.683 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -60.97 -47.35 86.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.374 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 43' ' ' MET . 21.6 t -55.42 -42.77 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-O 120.88 0.372 . . . . 0.0 110.43 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -67.94 -48.13 66.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.289 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.573 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 36.0 p -69.82 -23.71 63.35 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -175.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -76.62 -39.48 52.33 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 174.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.6 mmm -61.53 -43.44 98.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.126 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.573 ' HG2' ' HA ' ' A' ' 49' ' ' SER . 20.5 pt20 -71.84 -15.47 62.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.852 0.358 . . . . 0.0 111.379 -178.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -89.11 -8.92 52.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.882 0.372 . . . . 0.0 110.74 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.856 ' SD ' ' HD2' ' A' ' 62' ' ' ARG . 78.1 mtm -106.97 -48.76 3.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.893 0.378 . . . . 0.0 110.918 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.98 -165.61 20.95 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.661 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -67.07 139.14 49.88 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.405 2.07 . . . . 0.0 112.028 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 58.15 76.02 0.5 Allowed Pre-proline 0 N--CA 1.466 0.341 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.96 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -81.99 167.66 16.03 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.517 2.144 . . . . 0.0 112.641 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.5 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 23.8 Cg_exo -61.46 122.53 11.22 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 123.11 2.54 . . . . 0.0 111.791 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -62.53 -33.78 75.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.088 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -34.21 73.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.304 0.573 . . . . 0.0 110.376 178.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.856 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 41.7 ttm-85 -73.85 -32.55 63.71 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.621 -178.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.69 -32.14 72.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.929 176.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.1 mtm105 -58.14 -48.57 79.83 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 173.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.538 ' HA ' ' HG3' ' B' ' 76' ' ' GLU . . . -62.4 -37.05 84.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.217 178.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 96.1 mmm -59.24 -33.94 71.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -53.52 -55.57 24.34 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 173.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.527 HG22 ' HB1' ' B' ' 72' ' ' ALA . 19.7 m -65.83 -42.08 90.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.121 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -58.02 -56.39 22.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.482 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.4 ttt -60.03 -45.14 93.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.289 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.19 99.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.546 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -63.76 -41.4 97.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.955 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.577 ' O ' HG23 ' A' ' 77' ' ' VAL . 12.3 mm-40 -58.22 -52.15 66.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.027 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 78' ' ' VAL . 53.9 t -55.94 -47.32 80.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.64 96.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -61.63 -42.99 99.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.045 178.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.596 HG11 ' HG3' ' A' ' 40' ' ' MET . 91.9 t -61.44 -44.24 98.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.12 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 74' ' ' VAL . 78.2 t -68.68 -40.37 81.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.146 -178.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.89 -21.42 66.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.745 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.3 m -89.94 77.33 6.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.352 0.596 . . . . 0.0 110.434 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 p -158.57 161.45 28.42 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.593 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.54 ' HD2' ' HB3' ' A' ' 85' ' ' SER . 26.1 Cg_exo -63.91 155.84 61.74 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.201 1.934 . . . . 0.0 110.904 175.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -57.67 -36.1 98.6 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.352 2.035 . . . . 0.0 112.122 -174.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -76.6 -21.24 55.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.684 -178.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.54 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 18.0 t -101.63 -21.62 14.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.826 0.346 . . . . 0.0 110.76 -175.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -51.43 -52.14 48.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.05 -177.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.0 t -71.52 -24.89 62.04 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.087 -177.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.2 -47.01 53.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.116 0.484 . . . . 0.0 110.068 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.494 HG13 ' HG ' ' A' ' 32' ' ' LEU . 73.0 t -62.73 -44.92 99.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.097 175.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.4 -50.15 75.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.84 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -57.49 -34.7 69.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.945 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.403 ' OG1' HG11 ' A' ' 31' ' ' VAL . 39.9 m -71.06 -53.42 14.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.435 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.5 ' HA ' HD13 ' A' ' 93' ' ' ILE . 1.6 mm -59.83 -43.5 92.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.063 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.12 -35.02 63.21 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.57 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.21 -36.24 47.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.923 0.392 . . . . 0.0 110.643 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.544 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 86.3 m -63.1 -40.32 97.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.293 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.962 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 9.5 mp -59.71 -33.4 71.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.13 0.49 . . . . 0.0 110.798 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.486 ' HG3' HG21 ' A' ' 108' ' ' VAL . 64.0 ttt180 -66.92 -49.53 65.24 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.687 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.544 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 11.0 pt-20 -74.52 -37.21 63.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.838 -175.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 66.4 m -59.83 -41.21 90.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.71 0.29 . . . . 0.0 110.767 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 14.8 mmt -66.4 -41.53 89.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.728 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.7 ttm -68.05 -28.79 67.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.245 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -83.0 -34.97 26.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.941 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.27 -50.4 16.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.658 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.49 HG21 HG21 ' A' ' 8' ' ' ILE . 75.2 p -108.78 -47.12 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.21 0.529 . . . . 0.0 111.079 -177.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 130.68 -8.97 5.82 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.569 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.1 m -138.25 148.14 44.42 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.486 HG21 ' HG3' ' A' ' 98' ' ' ARG . 2.4 p -88.68 111.16 22.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.345 0.593 . . . . 0.0 111.158 179.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -74.51 125.98 29.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.114 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -86.22 -20.41 28.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.421 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.01 -53.32 55.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.653 0.263 . . . . 0.0 110.852 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -68.42 -45.54 72.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.042 0.449 . . . . 0.0 110.329 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.709 ' HA ' HD23 ' A' ' 97' ' ' LEU . 19.5 m -58.92 -41.65 87.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.707 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 10.2 t30 -71.94 -39.57 69.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.662 0.267 . . . . 0.0 110.499 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -55.54 -44.86 77.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.749 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.551 HG21 HD21 ' A' ' 97' ' ' LEU . 66.1 t -65.63 -35.61 75.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.958 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 30.5 mmt -65.85 -36.86 84.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.908 0.385 . . . . 0.0 110.247 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 114' ' ' ASN . 43.7 mt-30 -69.5 -46.78 65.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.968 176.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 116' ' ' VAL . 13.7 mt -54.81 -51.36 66.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.882 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.3 p -68.29 -31.08 50.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.608 -173.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -76.67 -37.59 55.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.001 0.429 . . . . 0.0 110.349 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 41.9 ttp -63.91 -45.36 89.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.688 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.39 -18.29 61.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.25 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 121.06 0.457 . . . . 0.0 110.406 179.345 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.473 HG21 HG21 ' B' ' 105' ' ' THR . 19.4 pt . . . . . 0 CA--C 1.532 0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 111.801 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -77.59 7.64 5.34 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -173.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.7 t -81.49 -12.72 58.76 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 171.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -121.94 104.94 38.16 Favored Pre-proline 0 C--O 1.234 0.272 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.717 173.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -62.31 -35.43 73.48 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.831 2.354 . . . . 0.0 112.257 -175.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -69.81 -41.51 74.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.496 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.3 -44.79 82.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.503 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.16 99.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.127 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -62.67 -30.99 71.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.786 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.6 m -67.48 -34.57 77.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.112 0.482 . . . . 0.0 109.877 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 1.011 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.61 -44.4 94.06 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.182 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -59.56 -44.26 93.32 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.187 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -63.69 -47.74 79.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.267 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -65.74 -27.79 68.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.645 -176.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.431 HD12 ' HE3' ' B' ' 70' ' ' MET . 19.4 mt -61.25 -47.18 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.626 175.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.56 -41.32 91.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.4 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -63.61 -44.34 94.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 177.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . 0.514 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 42.7 t -64.42 -36.23 83.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.115 0.483 . . . . 0.0 110.561 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.483 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -71.22 -37.61 72.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.003 0.43 . . . . 0.0 111.062 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 45.1 t -72.03 -31.29 66.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.514 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 26.3 ptt180 -80.73 -19.62 44.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.611 0.243 . . . . 0.0 110.997 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.3 p -89.93 -49.27 6.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.015 0.436 . . . . 0.0 110.414 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.08 24.27 74.11 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.045 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.7 p -90.57 -9.85 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.165 0.507 . . . . 0.0 110.385 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.5 mp -102.13 151.23 22.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.397 178.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 62.1 p -86.31 -179.5 6.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.908 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.14 94.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.766 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -57.98 -49.96 75.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.448 0.642 . . . . 0.0 109.558 178.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.566 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 43.0 mt-30 -67.26 -46.75 72.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.325 -177.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 90.1 mmm -63.57 -45.0 92.45 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 111.55 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -65.84 -35.27 80.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -72.0 -38.77 69.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.998 0.428 . . . . 0.0 110.542 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.523 ' HG3' HG11 ' B' ' 77' ' ' VAL . 85.9 mtp -65.47 -33.04 74.99 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.147 174.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.04 -41.79 96.65 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.553 172.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.579 ' SD ' ' HD3' ' A' ' 62' ' ' ARG . 52.7 ttp -65.07 -34.27 78.02 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 120.595 0.236 . . . . 0.0 110.735 176.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . 0.523 ' SD ' ' HG3' ' B' ' 70' ' ' MET . 47.6 ttp -54.47 -51.04 66.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.975 0.417 . . . . 0.0 110.338 176.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.51 99.48 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.96 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.75 -41.65 97.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.183 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 30.0 t -56.77 -51.53 68.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.622 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 43' ' ' MET . 10.6 t -60.3 -41.56 87.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.618 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -67.85 -50.73 54.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.694 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.496 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 63.4 p -68.93 -24.99 64.35 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -171.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -86.75 -32.62 20.31 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.549 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 58.7 mmm -69.05 -39.16 79.32 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.152 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -66.54 -26.25 67.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.093 0.473 . . . . 0.0 110.542 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' B' ' 49' ' ' SER . 32.9 mtmm -85.24 -12.99 51.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.587 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.6 mtm -105.07 -40.7 5.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.334 . . . . 0.0 111.199 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.85 -157.78 28.84 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.723 176.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.36 141.67 47.52 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.788 2.325 . . . . 0.0 112.475 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 49.93 75.78 0.62 Allowed Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.428 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -83.11 172.34 10.83 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 122.484 2.123 . . . . 0.0 111.879 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.613 ' HG2' ' CZ ' ' B' ' 62' ' ' ARG . 23.1 Cg_exo -63.14 119.1 6.04 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.607 2.205 . . . . 0.0 111.161 175.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.92 -28.34 64.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.197 -176.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . 0.664 ' HA ' ' HG3' ' B' ' 64' ' ' ARG . 11.4 p80 -71.47 -32.23 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.405 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.661 ' O ' ' HG2' ' B' ' 66' ' ' MET . 41.5 mtm-85 -73.81 -21.06 60.27 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.163 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.16 -32.53 63.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.761 171.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.664 ' HG3' ' HA ' ' B' ' 61' ' ' HIS . 29.4 mtm105 -53.17 -53.72 46.48 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.271 0.558 . . . . 0.0 109.577 173.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.93 94.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.725 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.661 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 92.6 mmm -58.38 -32.42 68.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.377 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -54.13 -55.17 30.31 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.143 0.497 . . . . 0.0 110.393 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.546 HG22 ' HB1' ' A' ' 72' ' ' ALA . 26.6 m -74.09 -32.91 63.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.181 -177.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.28 -53.8 54.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.98 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' MET . . . . . 0.523 ' HG3' ' SD ' ' B' ' 43' ' ' MET . 20.2 ttt -60.34 -45.37 93.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.834 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.6 99.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.288 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.527 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -64.75 -38.77 92.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.23 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.47 -39.03 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.407 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.454 ' O ' HG23 ' B' ' 78' ' ' VAL . 71.5 t -66.38 -41.66 89.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.056 0.455 . . . . 0.0 110.516 176.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.31 -38.28 90.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.502 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.538 ' HG3' ' HA ' ' A' ' 65' ' ' ALA . 3.5 tm-20 -55.13 -53.7 52.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.211 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.523 HG11 ' HG3' ' B' ' 40' ' ' MET . 33.7 m -68.75 -34.8 66.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.174 -174.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 74' ' ' VAL . 96.4 t -70.56 -37.79 71.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.987 0.422 . . . . 0.0 110.425 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' B' ' 86' ' ' TYR . . . -72.98 -35.96 67.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.807 -177.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 27.5 m -85.85 78.81 9.44 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.604 0.716 . . . . 0.0 110.244 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 52.1 p -149.76 162.96 26.63 Favored Pre-proline 0 C--N 1.317 -0.847 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.868 176.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -64.23 139.78 67.8 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.731 1.621 . . . . 0.0 110.403 175.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -45.4 -38.09 15.21 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.371 2.714 . . . . 0.0 112.947 -176.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -66.4 -50.1 64.61 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.54 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.411 ' O ' HG23 ' B' ' 89' ' ' VAL . 47.8 m -83.4 -9.86 58.77 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.112 -172.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . 0.431 ' OH ' HG22 ' B' ' 120' ' ' VAL . 18.8 t80 -51.7 -53.65 36.91 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 111.261 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -60.07 -40.27 88.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.928 -177.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.4 92.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.78 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 85' ' ' SER . 65.8 t -64.79 -46.46 91.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.493 178.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 tt -58.5 -50.44 73.76 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.686 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -60.55 -38.86 85.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.06 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 93.9 m -64.41 -56.25 15.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.722 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.469 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -59.32 -42.01 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.192 -179.001 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.92 -41.48 76.76 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.999 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.43 65.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.751 0.31 . . . . 0.0 110.64 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 88.6 m -58.68 -34.79 71.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.785 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 1.011 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 7.6 mp -66.11 -43.82 86.12 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.647 0.26 . . . . 0.0 111.11 178.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.513 ' HG3' HG21 ' B' ' 108' ' ' VAL . 20.8 ttt180 -60.6 -40.68 92.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.115 0.483 . . . . 0.0 110.08 176.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.96 -55.56 24.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.314 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 42.3 m -56.99 -42.26 79.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.016 -174.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.563 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 15.7 mmt -63.05 -38.03 89.55 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.011 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 3.2 ttm -68.54 -35.1 76.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.944 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -81.75 -35.13 30.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.985 0.421 . . . . 0.0 110.791 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.0 -54.75 8.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.695 -176.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.473 HG21 HG21 ' B' ' 8' ' ' ILE . 81.8 p -107.51 -49.66 3.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.136 0.493 . . . . 0.0 110.682 -177.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 131.53 -20.74 4.61 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -175.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m -120.77 139.5 53.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.563 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 2.9 p -90.5 108.06 19.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.399 0.619 . . . . 0.0 111.204 -177.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -71.75 130.31 40.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.38 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -92.19 -17.4 24.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.362 -177.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.72 -53.0 54.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.652 0.263 . . . . 0.0 110.774 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -68.18 -45.94 72.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.427 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.704 ' HA ' HD23 ' B' ' 97' ' ' LEU . 22.8 m -56.73 -41.01 76.74 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.728 178.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . 0.416 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 55.7 t30 -71.85 -41.15 68.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 0.0 110.494 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -53.33 -44.98 68.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.141 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.542 HG21 HD21 ' B' ' 97' ' ' LEU . 94.0 t -66.1 -36.74 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 29.0 mmt -65.06 -39.96 94.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.07 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 44.1 mt-30 -68.45 -43.38 77.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.224 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' B' ' 116' ' ' VAL . 17.4 mt -56.62 -51.23 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.616 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . 0.431 HG22 ' OH ' ' B' ' 86' ' ' TYR . 11.4 p -67.85 -35.95 74.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.47 -174.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -67.44 -40.73 85.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.089 0.471 . . . . 0.0 110.402 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.418 ' HE1' ' CD2' ' A' ' 119' ' ' LEU . 38.7 ttp -65.86 -43.78 87.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.986 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 90.6 mt -74.9 -11.41 60.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 110.83 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 29.6 t -89.9 0.45 57.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.358 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 121.017 0.437 . . . . 0.0 111.404 -179.298 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.525 HG21 HG21 ' A' ' 105' ' ' THR . 5.7 pt . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.036 0.446 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -73.54 85.88 1.57 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.818 0.818 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -164.37 -28.29 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.008 -1.451 . . . . 0.0 107.987 177.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -109.9 112.82 57.8 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.007 171.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -65.03 -40.63 19.64 Favored 'Trans proline' 0 C--N 1.331 -0.349 0 C-N-CA 122.862 2.375 . . . . 0.0 113.001 -170.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -65.66 -34.98 79.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.739 0.304 . . . . 0.0 110.705 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.43 -44.41 75.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.554 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.35 91.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.665 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 43.2 ttm -63.1 -28.76 70.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.9 m -64.01 -37.78 88.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.852 176.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.406 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 0.4 OUTLIER -65.83 -39.49 90.88 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.459 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.46 -41.65 97.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.801 177.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -71.45 -42.01 68.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.162 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -61.49 -33.08 73.18 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.209 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.715 HD21 HD12 ' A' ' 97' ' ' LEU . 46.8 mt -60.81 -40.8 94.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.732 176.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.34 -35.93 72.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.302 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -59.5 -52.0 67.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.467 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.55 -38.89 65.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.059 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.28 -42.28 90.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.425 . . . . 0.0 111.364 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.5 t -68.44 -21.59 64.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.527 -176.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 28' ' ' ARG . 10.2 ptp180 -106.01 -4.79 20.11 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.922 -178.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.7 p -85.23 -45.86 11.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.125 0.488 . . . . 0.0 109.78 176.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.4 90.12 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.58 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.5 p -76.24 -19.16 15.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.023 0.439 . . . . 0.0 110.39 -179.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mp -98.16 160.14 14.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.011 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.9 p -92.8 176.78 6.31 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.551 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.19 -40.87 96.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.12 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.478 ' CG ' HH21 ' B' ' 64' ' ' ARG . 11.2 t70 -61.76 -41.78 98.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.209 0.528 . . . . 0.0 110.089 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.613 ' HB3' HG13 ' A' ' 77' ' ' VAL . 54.0 mt-30 -66.62 -48.4 69.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.635 177.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 76.7 mmm -62.35 -42.54 99.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.591 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -66.19 -35.87 81.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 42' ' ' MET . 9.6 t70 -72.06 -33.94 68.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.232 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mtp -65.84 -36.49 83.61 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.064 0.459 . . . . 0.0 109.88 173.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.03 -37.16 94.49 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 173.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.408 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 18.6 tmm? -62.07 -42.65 99.42 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 175.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.428 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 37.9 ttp -55.55 -45.43 77.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.261 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.98 89.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.325 177.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -68.03 -42.18 81.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.735 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.2 p -62.51 -45.88 90.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.598 0.237 . . . . 0.0 110.867 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.3 t -65.05 -42.16 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.245 0.545 . . . . 0.0 110.037 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -60.54 -52.93 63.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.476 -178.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.645 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 35.2 m -60.05 -45.55 92.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.422 -175.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -62.53 -31.97 72.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.233 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.9 mmm -73.49 -26.18 60.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.86 0.362 . . . . 0.0 111.065 176.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -82.93 -25.64 32.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.41 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.645 ' HG2' ' O ' ' A' ' 49' ' ' SER . 1.6 mmmp? -75.05 -19.82 59.84 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.417 ' SD ' ' HD2' ' A' ' 62' ' ' ARG . 65.1 mtm -109.03 -168.66 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.145 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.64 -148.43 5.04 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.643 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.55 136.6 43.36 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.441 2.094 . . . . 0.0 111.762 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 63.18 86.17 0.15 Allowed Pre-proline 0 N--CA 1.464 0.255 0 O-C-N 123.603 0.565 . . . . 0.0 111.054 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -86.35 164.65 9.63 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.045 2.496 . . . . 0.0 112.329 178.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.1 139.68 47.33 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.574 2.183 . . . . 0.0 112.19 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -61.87 -25.04 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.485 -178.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.467 ' HE1' ' HA ' ' B' ' 35' ' ' ASP . 58.9 m-70 -55.5 -58.09 9.19 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.208 0.528 . . . . 0.0 109.956 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.635 ' HG2' ' HG3' ' B' ' 42' ' ' MET . 66.4 mtt180 -64.13 -36.81 85.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.17 -176.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 67.5 mt -60.24 -52.62 64.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.744 0.307 . . . . 0.0 111.001 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 21.5 ptt180 -65.78 -33.23 75.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.6 -177.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.73 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -73.52 -46.27 48.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.659 -178.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.585 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 92.8 mmm -66.08 -24.47 66.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.818 -177.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -53.29 -55.76 22.07 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.529 173.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.0 m -76.8 -34.54 57.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.012 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.537 ' HB3' ' HA ' ' A' ' 66' ' ' MET . . . -58.03 -51.62 68.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.29 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.3 ttt -59.24 -41.39 88.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 110.781 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.17 -43.19 98.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.99 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.91 -33.88 76.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.927 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 45.4 mt-10 -64.84 -27.53 68.94 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.5 t -80.3 -44.41 22.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.096 0.474 . . . . 0.0 110.223 174.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.83 92.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.718 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -60.08 -38.61 83.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.973 0.416 . . . . 0.0 110.707 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.613 HG13 ' HB3' ' A' ' 36' ' ' GLN . 54.7 t -67.4 -43.6 87.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.779 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.58 -42.81 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.088 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.41 -30.64 71.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.532 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.4 m -85.7 76.73 9.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.318 0.58 . . . . 0.0 110.363 178.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 61.4 p -154.01 167.72 13.18 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.637 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.68 145.32 99.07 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.263 1.975 . . . . 0.0 111.053 174.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.23 -17.67 44.98 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.178 1.919 . . . . 0.0 112.329 -172.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -93.9 -1.54 54.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.095 0.474 . . . . 0.0 110.364 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.4 m -122.43 -1.49 9.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.024 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -58.29 -47.07 84.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.363 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.1 t -66.92 -35.24 79.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.987 0.422 . . . . 0.0 110.163 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.52 -49.86 69.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.89 -44.61 96.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.477 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.5 -52.25 66.16 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.706 -178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -59.18 -43.74 92.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.23 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.3 m -58.24 -46.23 86.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.5 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.504 ' HA ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -68.68 -42.74 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 177.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.92 -40.42 95.29 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.057 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -66.63 -46.83 74.53 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 174.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.8 m -54.91 -45.87 74.79 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.448 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.715 HD12 HD21 ' A' ' 22' ' ' LEU . 3.6 mp -49.52 -49.97 43.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.987 0.423 . . . . 0.0 111.349 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.511 ' HG3' HG21 ' A' ' 108' ' ' VAL . 80.4 ttt180 -65.08 -49.23 70.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.909 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 22.2 mm-40 -63.42 -47.41 82.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.026 -179.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.6 m -56.44 -46.4 80.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.36 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.56 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 14.1 mmt -59.56 -50.28 74.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.795 0.331 . . . . 0.0 110.655 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.1 ttm -63.1 -38.23 90.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.56 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -84.48 -9.26 58.53 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -177.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.32 -48.35 5.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.948 0.404 . . . . 0.0 111.414 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.525 HG21 HG21 ' A' ' 8' ' ' ILE . 65.4 p -111.17 -14.65 13.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.047 0.451 . . . . 0.0 111.745 -173.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.25 1.29 66.92 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.854 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.4 m -149.71 159.24 44.5 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.56 ' HA ' ' HB3' ' A' ' 101' ' ' MET . 7.7 p -107.3 116.37 50.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.413 0.625 . . . . 0.0 111.066 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -78.33 134.23 37.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.096 175.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -94.32 -23.35 17.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.726 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.96 61.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.737 -176.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.468 ' O ' HG23 ' A' ' 116' ' ' VAL . 79.3 t80 -68.2 -49.25 62.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.704 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.63 ' HA ' HD23 ' A' ' 97' ' ' LEU . 43.8 m -57.46 -42.41 82.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.475 -177.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -71.56 -39.75 70.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.66 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -59.33 -42.59 91.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 112' ' ' PHE . 58.4 t -59.57 -39.75 80.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.984 0.421 . . . . 0.0 110.752 177.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 27.3 mmt -66.72 -42.19 86.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.245 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -66.98 -44.02 81.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.472 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 24.1 mt -56.41 -50.04 72.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.405 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 12.9 p -70.52 -32.18 48.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.552 -174.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -71.13 -38.06 72.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.922 0.391 . . . . 0.0 110.292 177.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.2 ttp -65.87 -39.98 91.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.899 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.7 mt -71.67 -15.8 62.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.326 -0.426 0 CA-C-O 121.368 0.604 . . . . 0.0 109.92 178.926 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.798 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.5 pp . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.955 0.407 . . . . 0.0 111.502 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -77.37 23.36 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.025 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.49 HG23 ' ND2' ' B' ' 11' ' ' ASN . 8.8 t -86.77 -5.48 59.1 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 172.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.49 ' ND2' HG23 ' B' ' 10' ' ' THR . 56.8 m-80 -135.56 115.54 11.57 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.635 175.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -68.97 -42.98 3.68 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 123.02 2.48 . . . . 0.0 113.34 -173.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -69.8 -29.53 66.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.287 0.565 . . . . 0.0 110.072 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.07 74.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.182 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.99 83.96 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.755 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' MET . . . . . 0.546 ' HE1' ' HA ' ' B' ' 48' ' ' ASN . 41.7 ttm -60.86 -30.74 70.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.989 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 52.3 m -68.1 -33.19 74.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.015 178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 1.073 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.3 OUTLIER -67.43 -41.36 84.94 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.79 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -43.42 98.9 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.426 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -66.26 -45.23 81.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.81 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.535 ' HA ' ' CG ' ' B' ' 24' ' ' GLN . 85.9 m-20 -65.75 -24.92 67.06 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.508 -178.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.476 HD21 ' HA ' ' B' ' 97' ' ' LEU . 32.7 mt -68.01 -45.89 72.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.999 0.428 . . . . 0.0 110.09 172.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 46.3 t -60.07 -49.78 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.423 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.535 ' CG ' ' HA ' ' B' ' 21' ' ' ASN . 3.7 pp0? -62.76 -36.11 81.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.872 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 38.2 t -71.28 -40.17 71.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.25 0.548 . . . . 0.0 110.098 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -65.89 -38.12 87.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.455 0.645 . . . . 0.0 110.768 175.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 34.9 t -66.75 -36.11 81.67 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.408 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 10.8 ptp180 -92.04 0.22 57.47 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -177.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 21.2 p -95.59 -42.62 8.32 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.296 175.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.43 31.63 60.79 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.602 176.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.437 HG13 HD12 ' B' ' 32' ' ' LEU . 14.7 p -103.04 -8.97 9.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.237 0.542 . . . . 0.0 110.393 178.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.5 HD13 ' HB1' ' B' ' 26' ' ' ALA . 5.3 mp -107.03 153.89 21.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.367 178.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 73.5 p -86.01 174.76 8.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.51 178.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.56 -33.15 75.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.738 0.304 . . . . 0.0 110.982 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.467 ' HA ' ' HE1' ' A' ' 61' ' ' HIS . 28.5 t0 -62.08 -45.6 92.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.145 0.497 . . . . 0.0 109.743 177.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.453 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 52.2 mt-30 -68.69 -44.91 72.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.702 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 79.6 mmm -62.16 -49.0 77.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.831 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.43 -28.99 66.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 110.608 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' B' ' 35' ' ' ASP . 26.6 t0 -65.26 -43.33 91.63 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.2 mtp -67.3 -35.9 80.42 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.399 175.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.72 -41.53 99.05 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.429 -0.669 . . . . 0.0 111.429 175.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.635 ' HG3' ' HG2' ' A' ' 62' ' ' ARG . 17.9 tmm? -63.17 -39.01 93.43 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 176.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . 0.543 ' O ' HG23 ' B' ' 47' ' ' VAL . 35.0 ttp -56.55 -47.39 79.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.126 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.45 87.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.179 0.514 . . . . 0.0 110.264 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.31 -43.35 86.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.683 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.4 p -65.03 -42.01 94.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.442 0.163 . . . . 0.0 111.206 -178.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 43' ' ' MET . 40.1 t -61.19 -46.82 95.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 121.264 0.554 . . . . 0.0 110.106 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.546 ' HA ' ' HE1' ' B' ' 16' ' ' MET . 57.0 t30 -68.76 -35.09 76.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.237 -176.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 66.9 m -72.42 -23.87 61.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.392 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -79.23 -15.64 57.71 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.658 174.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 95.7 mmm -79.06 -10.54 59.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.372 0.606 . . . . 0.0 109.686 172.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.403 ' HB2' HE21 ' B' ' 52' ' ' GLN . 10.9 mt-30 -88.64 -34.22 17.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 170.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.417 ' HE3' ' HB3' ' B' ' 53' ' ' LYS . 27.2 mmmt -67.99 -40.15 83.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.869 175.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . 0.724 ' SD ' ' HB3' ' B' ' 58' ' ' PRO . 63.9 mtm -95.44 131.94 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.209 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -93.3 -118.11 2.69 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.693 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.2 108.92 2.58 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 122.747 2.298 . . . . 0.0 112.842 -176.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.429 HD22 ' N ' ' B' ' 57' ' ' ASN . 0.9 OUTLIER 65.17 92.08 0.07 OUTLIER Pre-proline 0 N--CA 1.468 0.461 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.194 179.153 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.724 ' HB3' ' SD ' ' B' ' 54' ' ' MET . 33.2 Cg_exo -60.07 157.57 33.81 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 123.188 2.592 . . . . 0.0 113.519 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.497 ' HD2' ' SD ' ' B' ' 54' ' ' MET . 19.2 Cg_endo -62.56 125.01 15.22 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 123.316 2.677 . . . . 0.0 111.716 176.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -51.4 -40.88 60.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.378 -178.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . 0.488 ' HA ' ' HG2' ' B' ' 64' ' ' ARG . 2.0 p-80 -66.92 -31.32 71.83 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.734 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.703 ' HD3' ' SD ' ' B' ' 54' ' ' MET . 34.6 ttt180 -74.86 -25.47 59.0 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.151 -0.62 . . . . 0.0 109.475 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.0 mt -71.29 -51.2 25.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.249 175.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.488 ' HG2' ' HA ' ' B' ' 61' ' ' HIS . 10.2 ptt180 -68.88 -22.26 64.2 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.806 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.02 -50.88 37.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.238 0.542 . . . . 0.0 110.345 174.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 94.9 mmm -64.95 -21.58 66.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.289 -178.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -56.13 -46.31 79.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.267 171.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.485 ' HA ' ' OE1' ' B' ' 115' ' ' GLU . 57.6 m -80.1 -37.59 33.38 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.697 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.508 ' HB3' ' HA ' ' B' ' 66' ' ' MET . . . -61.06 -52.06 66.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.483 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.5 ttt -59.72 -43.02 94.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.951 0.405 . . . . 0.0 110.698 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.32 -43.55 97.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.973 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.69 95.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.921 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.51 ' O ' HG23 ' B' ' 77' ' ' VAL . 43.1 mt-10 -62.38 -46.58 87.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.559 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 44.3 t -60.19 -48.61 87.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.743 0.306 . . . . 0.0 110.873 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.19 -40.41 89.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.804 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.73 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 24.4 tt0 -59.15 -49.15 78.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.55 176.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.51 HG23 ' O ' ' B' ' 73' ' ' GLU . 72.6 t -56.61 -39.61 63.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.215 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.3 t -75.35 -46.72 37.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.176 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.21 -38.68 85.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.515 -177.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 5.1 m -83.99 68.02 9.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.395 0.616 . . . . 0.0 110.443 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.0 p -144.91 171.69 6.29 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.859 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.3 137.18 59.35 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.535 1.49 . . . . 0.0 110.422 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.16 -21.01 57.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.753 2.302 . . . . 0.0 111.849 -175.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -65.51 -50.4 65.41 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.557 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.443 ' O ' HG23 ' B' ' 89' ' ' VAL . 45.5 m -91.27 -9.88 43.48 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.263 -175.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -47.11 -59.74 2.94 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.257 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 40.5 m -58.7 -36.02 73.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.726 -175.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.79 -46.56 57.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.14 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 85' ' ' SER . 87.1 t -59.14 -42.66 87.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.204 0.525 . . . . 0.0 109.924 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.68 -51.63 69.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.694 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -60.09 -38.74 83.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.604 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 84.2 m -64.51 -53.7 44.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.77 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.51 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.7 OUTLIER -60.05 -44.93 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.06 179.694 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.97 -43.05 87.89 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.394 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.08 -41.4 74.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.671 0.272 . . . . 0.0 110.746 178.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 94.7 m -62.3 -34.48 76.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.334 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 1.073 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 2.5 mp -58.58 -51.58 69.31 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.701 0.286 . . . . 0.0 111.327 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.518 ' HG3' HG21 ' B' ' 108' ' ' VAL . 39.4 ttp180 -55.92 -45.8 78.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.513 -178.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.57 -47.29 70.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.931 -177.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 58.1 m -55.88 -42.13 75.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.528 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.522 ' SD ' ' HG3' ' B' ' 18' ' ' MET . 13.9 mmt -63.56 -44.03 95.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.906 0.384 . . . . 0.0 110.911 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 23.9 ttm -68.45 -26.18 65.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.117 -177.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -85.75 -34.36 21.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.822 0.344 . . . . 0.0 110.968 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.09 -53.84 8.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.384 -177.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.798 HG21 ' HB ' ' B' ' 8' ' ' ILE . 81.4 p -103.57 -48.62 3.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.241 0.543 . . . . 0.0 110.691 -177.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.98 -0.69 6.68 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.482 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 48.3 m -147.91 149.2 31.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.518 HG21 ' HG3' ' B' ' 98' ' ' ARG . 2.9 p -85.61 111.08 20.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.383 0.611 . . . . 0.0 111.537 -176.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -68.3 111.85 4.84 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.726 175.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.22 -28.45 42.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.42 -175.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.97 87.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.965 0.412 . . . . 0.0 110.716 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.401 ' O ' HG23 ' B' ' 116' ' ' VAL . 81.5 t80 -69.06 -51.97 33.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.416 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.602 ' HA ' HD23 ' B' ' 97' ' ' LEU . 15.2 m -57.96 -32.72 68.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.765 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -70.74 -47.02 61.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.607 0.241 . . . . 0.0 110.842 178.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.485 ' OE1' ' HA ' ' B' ' 68' ' ' THR . 23.2 tt0 -58.58 -44.32 89.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 -176.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.523 HG21 HD21 ' B' ' 97' ' ' LEU . 64.8 t -59.47 -39.54 79.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.759 -178.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 28.2 mmt -68.01 -39.34 83.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.961 0.41 . . . . 0.0 110.547 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -76.38 -34.91 58.88 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.264 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.87 -51.08 71.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.055 176.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.39 -37.51 79.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.091 -175.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -63.86 -40.69 97.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.939 0.4 . . . . 0.0 110.562 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 45.8 ttp -68.87 -44.28 73.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.889 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 89.2 mt -75.98 -5.2 45.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.907 0.384 . . . . 0.0 111.02 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 23.1 t -84.7 -1.9 56.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.556 0.693 . . . . 0.0 109.842 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.341 177.543 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.448 HG23 ' HB2' ' A' ' 109' ' ' ASP . 6.2 pt . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 120.693 0.282 . . . . 0.0 111.413 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -73.41 87.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.697 0.761 . . . . 0.0 111.769 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.32 -37.45 0.21 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.36 -1.291 . . . . 0.0 108.876 175.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.419 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 45.6 m-80 -101.57 127.7 30.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.119 170.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 11' ' ' ASN . 7.4 Cg_exo -65.62 -55.72 0.41 Allowed 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.627 2.218 . . . . 0.0 112.826 -172.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -72.25 -26.11 61.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.387 -174.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.89 77.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.102 0.477 . . . . 0.0 110.125 176.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.46 -34.85 68.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.874 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.482 ' HE2' HG12 ' A' ' 47' ' ' VAL . 50.7 ttm -59.55 -29.08 67.66 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.116 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.7 m -60.77 -36.32 78.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.956 0.408 . . . . 0.0 110.083 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.821 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -65.85 -41.44 91.69 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.06 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -60.29 -50.38 73.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.992 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.77 -42.12 97.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.983 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -69.14 -25.54 64.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.372 -177.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 22' ' ' LEU . 17.1 mt -63.97 -47.57 79.88 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.32 173.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.74 -41.02 88.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.113 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -62.18 -39.96 94.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.976 176.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.543 ' HA ' ' HD3' ' A' ' 28' ' ' ARG . 12.6 t -70.26 -35.53 73.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.956 0.407 . . . . 0.0 110.509 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.09 -38.7 75.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.013 0.435 . . . . 0.0 110.76 176.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.8 t -72.2 -21.44 61.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.442 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.543 ' HD3' ' HA ' ' A' ' 25' ' ' CYS . 1.6 ptm180 -94.29 -17.7 22.37 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 111.043 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.9 p -88.45 -43.95 11.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.954 0.407 . . . . 0.0 110.576 177.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.01 24.9 75.87 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.906 -0.588 . . . . 0.0 113.107 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.5 t -83.59 -27.69 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.373 0.606 . . . . 0.0 110.221 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.573 ' HB3' ' HB2' ' A' ' 36' ' ' GLN . 5.6 mp -86.59 154.28 21.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.012 -174.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 75.8 p -87.85 178.41 6.72 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.603 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.69 94.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.561 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -51.46 -52.97 41.94 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.465 176.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.573 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 42.5 mt-30 -67.64 -45.44 75.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.448 -176.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 86.3 mmm -64.7 -43.84 92.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.672 -177.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -63.43 -35.21 79.69 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.115 0.483 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.506 ' HB3' HG22 ' A' ' 77' ' ' VAL . 1.9 t70 -63.69 -45.08 91.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.385 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.421 ' O ' ' HB3' ' A' ' 43' ' ' MET . 91.3 mtp -66.94 -30.93 71.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.664 178.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.98 -50.02 67.14 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.999 177.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -68.22 -25.46 65.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.649 0.261 . . . . 0.0 110.328 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.424 ' O ' HG23 ' A' ' 47' ' ' VAL . 48.4 ttp -58.82 -54.3 48.7 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.06 0.457 . . . . 0.0 110.189 176.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.5 83.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.552 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.4 -42.54 92.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.308 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.2 p -64.85 -30.21 71.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.675 0.274 . . . . 0.0 111.3 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.482 HG12 ' HE2' ' A' ' 16' ' ' MET . 59.2 t -73.52 -42.14 56.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.253 0.549 . . . . 0.0 110.128 175.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -69.01 -41.9 77.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.702 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.686 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 12.4 p -64.8 -24.58 67.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.375 -178.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -65.64 -38.83 90.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 51' ' ' MET . 0.6 OUTLIER -67.35 -39.46 85.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.568 -179.097 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.686 ' HG2' ' HA ' ' A' ' 49' ' ' SER . 17.8 pt20 -77.08 -28.34 54.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.043 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -73.84 -36.19 64.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.033 0.444 . . . . 0.0 110.451 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 56.6 mtm -94.04 -163.23 1.02 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.083 177.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.16 -170.87 13.05 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.483 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.15 147.31 72.72 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.589 2.193 . . . . 0.0 111.742 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.2 m120 60.54 74.7 0.52 Allowed Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.887 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -88.28 172.01 5.24 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.911 2.407 . . . . 0.0 113.044 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -63.93 140.07 71.1 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.933 2.422 . . . . 0.0 111.934 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -65.65 -40.11 92.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.884 -176.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.563 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 11.6 p80 -63.55 -25.76 68.39 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.257 -178.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.551 ' O ' ' HG2' ' A' ' 66' ' ' MET . 96.5 mtt180 -71.48 -35.02 70.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.052 0.453 . . . . 0.0 110.104 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.92 -45.15 44.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.593 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 61' ' ' HIS . 1.8 ppt_? -60.46 -29.34 68.97 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.217 178.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.633 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -71.46 -45.0 63.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.948 178.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 97.2 mmm -59.78 -26.5 65.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.92 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' A' ' 64' ' ' ARG . 17.1 t-20 -52.24 -52.75 50.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.901 173.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.2 m -75.87 -33.65 59.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.381 -177.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.94 -48.12 83.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.043 0.449 . . . . 0.0 110.399 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.9 ttt -63.0 -44.7 95.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.809 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.39 93.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.445 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.91 92.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.985 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.559 ' O ' HG23 ' A' ' 77' ' ' VAL . 24.4 mm-40 -62.3 -47.55 83.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.439 178.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.44 -42.51 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 0.0 110.587 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.5 93.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.743 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -56.9 -39.46 74.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.535 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 73' ' ' GLU . 54.8 t -64.37 -48.22 86.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.107 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.443 HG11 ' CD1' ' A' ' 90' ' ' LEU . 36.4 t -72.31 -40.94 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.176 -177.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.59 -30.81 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 0.0 111.558 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.8 m -90.38 78.98 6.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.512 0.672 . . . . 0.0 110.368 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.8 p -158.35 168.85 11.61 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.343 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.09 142.11 97.66 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.012 1.808 . . . . 0.0 110.528 173.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.63 -20.53 69.38 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.502 2.135 . . . . 0.0 112.117 -171.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -88.29 -20.55 25.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.649 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.5 t -102.19 -16.7 16.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.139 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -51.42 -46.14 62.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.387 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.3 t -64.07 -41.82 97.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.687 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.69 -48.31 77.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.027 0.441 . . . . 0.0 110.648 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.471 HG13 ' HG ' ' A' ' 32' ' ' LEU . 93.9 t -63.96 -44.07 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.77 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.695 HD11 HG11 ' A' ' 120' ' ' VAL . 26.5 tp -61.85 -47.22 86.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 -177.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.53 -38.35 84.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.048 0.451 . . . . 0.0 110.336 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.6 m -64.12 -54.12 38.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.811 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.507 ' HA ' HD13 ' A' ' 93' ' ' ILE . 0.7 OUTLIER -60.3 -46.66 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 179.09 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.54 -40.4 87.0 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.487 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.72 75.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.684 0.278 . . . . 0.0 110.747 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.521 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 96.6 m -64.89 -39.35 93.4 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.492 -179.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.821 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 7.3 mp -54.31 -40.0 67.52 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.031 0.443 . . . . 0.0 111.084 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -67.1 -45.83 76.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.912 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.521 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 11.9 pt-20 -77.51 -36.06 52.92 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.499 -176.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.0 m -60.84 -35.3 76.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.428 176.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.481 ' SD ' ' HG3' ' A' ' 18' ' ' MET . 13.0 mmt -66.03 -44.2 85.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.881 177.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.459 ' O ' ' HA2' ' A' ' 106' ' ' GLY . 33.3 ttm -71.91 -21.7 61.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.924 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 99' ' ' GLU . 79.9 mt-30 -82.22 -40.84 21.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.962 0.41 . . . . 0.0 110.173 175.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.05 -53.17 10.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.802 -177.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.5 p -107.38 -33.1 7.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.085 0.469 . . . . 0.0 111.347 -175.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 102' ' ' MET . . . 104.19 -1.46 43.83 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.333 -176.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.6 p -132.09 148.48 52.49 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.342 -0.429 . . . . 0.0 109.902 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.2 t -85.12 103.63 12.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.086 0.469 . . . . 0.0 110.903 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.448 ' HB2' HG23 ' A' ' 8' ' ' ILE . 10.2 t70 -72.0 131.42 42.89 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 173.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -105.36 -27.42 11.49 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.468 -175.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.23 90.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -73.97 -49.18 25.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.316 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.701 ' HA ' HD23 ' A' ' 97' ' ' LEU . 7.8 m -56.97 -40.95 77.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.552 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.495 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 11.3 t30 -69.41 -43.16 74.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.557 0.218 . . . . 0.0 110.473 178.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.21 -48.15 76.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -177.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.466 HG21 HD21 ' A' ' 97' ' ' LEU . 61.1 t -61.57 -40.16 85.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.377 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.422 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 31.2 mmt -66.4 -29.59 69.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -176.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 11.2 mm100 -85.47 -38.06 19.03 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.36 -179.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.03 -47.96 76.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.295 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.695 HG11 HD11 ' A' ' 90' ' ' LEU . 13.2 p -66.33 -34.19 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.652 -174.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 117' ' ' MET . 95.7 mttt -65.23 -46.22 81.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.324 0.583 . . . . 0.0 110.211 178.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 34.1 ttp -66.04 -39.16 89.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.429 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.403 HD11 HG21 ' B' ' 68' ' ' THR . 72.3 mt -71.15 -9.94 58.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.645 0.259 . . . . 0.0 111.633 -177.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.689 179.84 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.966 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.6 pp . . . . . 0 C--O 1.235 0.303 0 CA-C-O 121.22 0.533 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . 0.405 ' CD1' ' HB3' ' B' ' 63' ' ' LEU . 1.9 t-105 -80.22 74.37 7.05 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.464 0.65 . . . . 0.0 110.607 -171.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 17.8 m -122.33 -25.0 4.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.078 175.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -111.53 137.96 21.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.152 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -67.12 -43.22 6.69 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.628 2.219 . . . . 0.0 112.408 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -62.38 -44.45 96.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.151 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.28 99.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.134 0.492 . . . . 0.0 110.593 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.92 -43.6 95.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.715 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 41.1 ttm -62.08 -39.14 91.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.294 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 36.4 m -59.19 -45.71 90.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.693 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 1.017 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -59.1 -43.91 91.91 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.5 m -61.43 -50.77 71.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.986 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.35 -42.63 98.93 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -65.51 -29.6 70.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.269 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' B' ' 22' ' ' LEU . 24.7 mt -64.31 -46.39 83.77 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 173.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.78 -43.83 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.149 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 48.5 mt-30 -61.68 -44.35 97.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 177.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . 0.547 ' HA ' ' HD3' ' B' ' 28' ' ' ARG . 8.5 t -67.1 -32.02 72.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.964 0.411 . . . . 0.0 110.62 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.473 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -70.86 -40.5 72.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.242 0.544 . . . . 0.0 110.938 175.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 24.2 t -66.15 -39.6 89.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.793 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.547 ' HD3' ' HA ' ' B' ' 25' ' ' CYS . 3.0 ptm180 -75.65 -31.92 60.0 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.388 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.3 p -72.09 -49.59 35.1 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.534 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.87 24.08 62.8 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.552 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.442 HG13 HD12 ' B' ' 32' ' ' LEU . 12.6 p -95.94 -6.22 9.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.444 0.64 . . . . 0.0 110.445 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 6.1 mp -101.4 150.49 22.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.577 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 72.5 p -90.31 -179.33 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.891 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.0 -44.81 87.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.2 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.596 ' O ' ' HB2' ' B' ' 39' ' ' ASP . 16.2 m-20 -62.62 -41.39 98.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.576 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.507 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 52.3 mt-30 -70.07 -44.14 69.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.038 -179.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 83.9 mmm -67.62 -50.4 58.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.797 -177.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.06 -34.33 76.06 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.036 0.446 . . . . 0.0 110.307 -178.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.596 ' HB2' ' O ' ' B' ' 35' ' ' ASP . 0.4 OUTLIER -59.42 -53.66 55.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.499 177.422 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.587 ' HG2' HG21 ' B' ' 77' ' ' VAL . 1.1 mtm -66.63 -30.94 71.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.614 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.33 -46.41 90.74 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.33 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.42 ' HG2' ' O ' ' B' ' 39' ' ' ASP . 24.9 ptt? -71.01 -24.23 62.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.049 0.452 . . . . 0.0 110.034 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . 0.675 ' SD ' ' HG2' ' B' ' 70' ' ' MET . 53.9 ttp -59.43 -52.31 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.265 174.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.24 85.81 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.634 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -55.76 -43.01 76.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.464 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 64.6 m -63.74 -38.33 90.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.857 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 43' ' ' MET . 18.8 t -65.17 -40.36 88.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.156 0.503 . . . . 0.0 109.994 177.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -67.88 -47.08 69.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.541 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 4.4 p -64.08 -33.48 75.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.316 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -58.79 -45.11 90.61 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.676 0.274 . . . . 0.0 110.838 175.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 74.7 mtp -59.13 -32.91 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.757 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -79.15 -24.93 42.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.26 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' B' ' 49' ' ' SER . 2.7 mmmp? -81.99 -20.08 39.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.11 0.481 . . . . 0.0 110.659 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 76.5 mtm -104.23 -66.95 0.92 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.098 -178.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.96 -174.45 19.88 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 -176.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.71 151.57 36.55 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.515 2.143 . . . . 0.0 112.075 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 15.9 m120 59.39 70.26 1.14 Allowed Pre-proline 0 N--CA 1.465 0.291 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.725 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -83.84 168.27 12.46 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.583 2.188 . . . . 0.0 113.206 -175.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -67.0 140.44 54.52 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 123.048 2.499 . . . . 0.0 111.935 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -66.22 -33.58 76.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.754 -177.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . 0.58 ' HA ' ' HG3' ' B' ' 64' ' ' ARG . 4.6 p80 -67.45 -32.7 73.73 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.867 -177.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -68.45 -23.62 64.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.248 0.547 . . . . 0.0 109.65 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.405 ' HB3' ' CD1' ' B' ' 9' ' ' TRP . 96.9 mt -80.72 -43.63 19.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.766 177.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.58 ' HG3' ' HA ' ' B' ' 61' ' ' HIS . 2.2 ppt_? -65.88 -22.88 66.55 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.756 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.67 -51.57 10.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.636 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.476 ' HA ' ' HB3' ' B' ' 69' ' ' ALA . 92.6 mmm -62.23 -22.48 65.99 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.401 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -55.47 -44.03 76.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.154 0.502 . . . . 0.0 109.785 173.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.403 HG21 HD11 ' A' ' 123' ' ' LEU . 71.0 m -81.47 -34.35 31.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.96 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' B' ' 66' ' ' MET . . . -59.56 -54.83 41.97 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' MET . . . . . 0.675 ' HG2' ' SD ' ' B' ' 43' ' ' MET . 10.8 tmm? -59.66 -42.12 92.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.623 0.725 . . . . 0.0 110.326 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . 0.594 ' HB2' ' CE1' ' B' ' 112' ' ' PHE . . . -65.79 -39.89 91.39 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.464 -177.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.71 96.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.742 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.459 ' O ' HG23 ' B' ' 77' ' ' VAL . 3.0 mm-40 -56.06 -56.64 18.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.637 175.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.478 HG22 ' SD ' ' B' ' 40' ' ' MET . 65.4 t -53.43 -49.01 56.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.532 178.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.82 99.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.529 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.633 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 40.6 tt0 -66.07 -39.26 89.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.743 0.306 . . . . 0.0 110.25 178.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.587 HG21 ' HG2' ' B' ' 40' ' ' MET . 41.6 t -57.32 -39.99 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.588 175.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 74' ' ' VAL . 77.0 t -71.38 -52.11 28.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.034 177.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.418 ' HB2' HG23 ' B' ' 120' ' ' VAL . . . -60.42 -35.71 76.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.22 -176.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 15.3 m -87.33 77.55 8.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.46 0.648 . . . . 0.0 110.731 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 66.4 p -156.72 165.32 19.01 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.039 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.0 142.48 99.44 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.076 1.851 . . . . 0.0 110.511 174.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -62.4 -20.99 72.08 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.332 2.021 . . . . 0.0 111.893 -173.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -80.02 -19.38 47.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.113 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.421 ' O ' HG23 ' B' ' 89' ' ' VAL . 11.0 t -111.25 -19.12 12.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.322 -177.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -51.32 -47.31 62.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.862 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 11.1 t -64.01 -39.3 93.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.853 0.359 . . . . 0.0 110.709 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.94 -46.07 72.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 85' ' ' SER . 59.5 t -62.89 -42.89 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.292 178.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.32 -52.21 66.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.388 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -60.22 -34.63 73.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.346 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 97.5 m -68.97 -55.57 10.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.725 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.2 mm -59.08 -46.14 92.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.085 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.25 -41.8 71.59 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.624 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.02 -37.81 57.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.564 0.221 . . . . 0.0 111.347 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' CYS . . . . . 0.456 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 89.7 m -63.63 -33.59 75.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.002 179.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 1.017 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 3.1 mp -58.4 -43.21 88.49 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.472 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -63.48 -48.43 77.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.56 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' B' ' 103' ' ' GLN . 13.2 pt-20 -70.48 -38.81 74.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.096 -176.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 74.0 m -59.5 -38.54 81.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.741 0.305 . . . . 0.0 110.7 177.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.665 ' HE1' ' HG3' ' B' ' 18' ' ' MET . 13.7 mmt -62.79 -42.76 99.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.922 178.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . 0.409 ' O ' ' HA2' ' B' ' 106' ' ' GLY . 36.0 ttm -75.57 -21.12 58.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' B' ' 99' ' ' GLU . 17.2 mm-40 -83.0 -28.43 29.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.06 0.457 . . . . 0.0 110.279 175.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.14 -67.51 0.81 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.419 -177.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.966 HG21 ' HB ' ' B' ' 8' ' ' ILE . 82.3 p -92.08 -31.71 15.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.183 0.516 . . . . 0.0 110.614 -177.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' B' ' 102' ' ' MET . . . 103.17 -1.95 47.3 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -176.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' B' ' 101' ' ' MET . 22.9 p -131.95 149.97 52.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.443 -0.379 . . . . 0.0 110.194 -178.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 57.4 t -88.91 110.51 21.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.861 -179.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -86.79 109.22 19.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -82.29 -25.42 34.02 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.009 -0.277 . . . . 0.0 110.714 -177.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.18 -48.45 81.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.962 0.41 . . . . 0.0 110.925 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.594 ' CE1' ' HB2' ' B' ' 71' ' ' ALA . 78.9 t80 -67.6 -51.89 45.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.362 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.607 ' HA ' HD23 ' B' ' 97' ' ' LEU . 16.0 m -54.56 -34.76 62.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.669 177.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . 0.419 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 9.5 t30 -71.19 -40.67 71.08 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 177.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -54.84 -49.27 71.49 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.285 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.537 HG21 HD21 ' B' ' 97' ' ' LEU . 98.9 t -59.85 -36.59 67.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.439 -178.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . 0.551 ' O ' ' HG3' ' B' ' 121' ' ' LYS . 31.1 mmt -70.24 -35.16 73.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.029 0.442 . . . . 0.0 110.197 -177.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' B' ' 114' ' ' ASN . 14.1 mm100 -75.24 -42.43 55.3 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.414 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 13.3 mt -55.75 -47.6 76.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.121 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . 0.418 HG23 ' HB2' ' B' ' 79' ' ' ALA . 11.9 p -70.22 -35.14 61.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.323 -175.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' B' ' 117' ' ' MET . 96.8 mttt -67.09 -45.58 76.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.035 0.445 . . . . 0.0 110.192 177.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 31.7 ttp -64.36 -40.11 95.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.018 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 80.0 mt -72.72 -11.69 60.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 111.279 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 18.3 t -98.93 7.92 45.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.125 0.488 . . . . 0.0 109.987 176.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.359 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.93 -178.547 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.669 ' HB ' HG21 ' A' ' 105' ' ' THR . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.98 0.419 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -87.14 75.3 9.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.252 0.549 . . . . 0.0 111.431 -176.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 p -120.87 -42.08 2.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.799 172.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -109.94 126.14 29.66 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.459 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -66.28 -33.27 39.59 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.675 2.25 . . . . 0.0 112.569 -175.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -71.92 -32.93 67.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.889 0.376 . . . . 0.0 110.32 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.48 86.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.095 0.474 . . . . 0.0 109.979 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.82 90.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.311 175.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.0 ttm -60.78 -29.66 69.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.856 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.5 m -62.36 -40.45 96.46 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.499 ' HE3' ' HG ' ' A' ' 97' ' ' LEU . 12.0 tpt -62.56 -42.19 99.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.305 174.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -63.39 -52.08 63.12 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.206 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -63.72 -44.89 92.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.302 -177.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.57 -33.82 75.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 0.0 110.555 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.666 HD11 HD12 ' A' ' 97' ' ' LEU . 12.3 tp -64.21 -45.39 88.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.278 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.7 t -66.28 -41.53 89.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.811 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -64.26 -35.22 80.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.658 0.266 . . . . 0.0 110.503 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.05 -35.06 79.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.341 0.591 . . . . 0.0 109.938 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -74.2 -35.73 63.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.292 0.568 . . . . 0.0 110.96 177.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.1 t -71.44 -26.47 62.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.266 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -90.01 -22.66 21.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.616 0.246 . . . . 0.0 111.107 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 p -82.21 -39.83 22.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.717 0.294 . . . . 0.0 110.922 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.25 8.92 80.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.63 177.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.586 HG13 HD12 ' A' ' 32' ' ' LEU . 14.2 p -79.12 -21.32 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.967 0.413 . . . . 0.0 110.389 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.586 HD12 HG13 ' A' ' 31' ' ' VAL . 5.4 mp -94.94 151.9 18.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.997 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.513 ' O ' ' HG2' ' A' ' 37' ' ' MET . 44.6 p -85.16 170.1 13.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.285 178.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.84 -30.56 71.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.95 0.405 . . . . 0.0 110.628 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.12 -54.0 51.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.552 174.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.461 ' HB3' ' CG1' ' A' ' 77' ' ' VAL . 47.8 mt-30 -65.44 -31.63 72.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.325 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 33' ' ' THR . 88.1 mmm -68.8 -27.14 65.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.057 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.515 ' HB3' ' CE1' ' B' ' 61' ' ' HIS . 35.3 t70 -82.03 -28.42 32.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 177.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.525 ' OD2' ' HB2' ' B' ' 65' ' ' ALA . 0.9 OUTLIER -56.33 -60.86 2.91 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.501 0.667 . . . . 0.0 109.574 170.293 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.598 ' HG3' HG21 ' A' ' 77' ' ' VAL . 86.3 mtp -67.11 -26.42 66.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.704 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.13 -49.94 63.55 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.9 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.477 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 12.5 ptt? -71.81 -19.74 61.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.02 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.469 ' O ' HG23 ' A' ' 47' ' ' VAL . 57.4 ttp -60.52 -53.23 60.05 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 174.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.79 93.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.23 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.477 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 27.4 t70 -59.12 -42.63 91.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.042 177.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m -65.77 -33.85 76.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.82 0.343 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 43' ' ' MET . 47.8 t -70.01 -46.06 74.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.038 0.447 . . . . 0.0 110.009 176.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -64.76 -46.56 81.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.875 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.734 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 15.7 p -64.35 -33.53 76.05 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.3 -178.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.62 ' O ' ' HG2' ' A' ' 54' ' ' MET . 41.5 mt-30 -67.46 -33.69 75.64 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.241 -0.583 . . . . 0.0 111.294 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.516 ' HA ' ' HG2' ' A' ' 54' ' ' MET . 55.8 mtp -67.74 -21.42 65.28 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -97.03 -13.61 22.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.833 0.349 . . . . 0.0 110.789 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.734 ' HG2' ' O ' ' A' ' 49' ' ' SER . 75.0 mmtt -80.65 -35.02 34.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.261 0.553 . . . . 0.0 109.555 171.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.62 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 24.7 ptp -90.16 172.86 8.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.219 179.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -111.51 -172.47 19.36 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.874 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.68 129.18 26.84 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.668 2.245 . . . . 0.0 111.595 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 59.23 84.5 0.2 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.853 -172.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.562 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 74.2 Cg_endo -74.09 167.88 26.13 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.083 2.522 . . . . 0.0 112.795 -174.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -58.97 125.31 17.83 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.349 2.033 . . . . 0.0 111.412 174.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -58.87 -36.27 74.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.342 -175.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.781 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 5.5 p80 -68.1 -20.2 64.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.171 0.51 . . . . 0.0 110.854 -178.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.57 ' O ' ' HG3' ' A' ' 66' ' ' MET . 33.8 ttt180 -73.36 -36.95 66.2 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.54 -41.17 93.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.697 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.781 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 38.8 ptt180 -61.3 -40.17 93.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.447 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.523 ' HA ' ' HG3' ' B' ' 76' ' ' GLU . . . -68.67 -41.47 79.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.93 0.395 . . . . 0.0 111.133 178.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.57 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 82.1 mtp -67.39 -20.9 65.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.572 -176.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -56.96 -51.99 66.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.852 0.358 . . . . 0.0 110.344 174.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.49 HG22 ' HB1' ' B' ' 72' ' ' ALA . 7.1 m -72.78 -26.8 61.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.875 -178.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.04 -61.07 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.381 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.418 ' HB3' ' HE2' ' A' ' 70' ' ' MET . 57.7 ttp -60.57 -35.92 77.24 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.883 0.373 . . . . 0.0 110.582 -179.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.47 ' HB2' ' CE1' ' A' ' 112' ' ' PHE . . . -65.11 -52.77 53.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.512 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.86 83.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.424 -176.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.601 ' O ' HG23 ' A' ' 77' ' ' VAL . 9.9 mm-40 -59.94 -48.03 83.36 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.782 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.29 -44.66 98.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.323 . . . . 0.0 111.05 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.5 -39.37 90.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.645 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -59.51 -44.48 93.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.739 176.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 73' ' ' GLU . 69.1 t -61.57 -44.49 98.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.328 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.29 -47.2 47.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.401 -177.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.38 -38.51 91.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 111.395 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.405 HG21 ' HD2' ' B' ' 64' ' ' ARG . 4.7 m -86.36 68.02 10.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.443 0.64 . . . . 0.0 110.202 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.1 m -137.46 160.74 64.17 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.21 178.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.87 136.27 72.45 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.733 1.622 . . . . 0.0 110.384 173.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -62.84 -15.27 46.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.612 2.208 . . . . 0.0 112.463 -172.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -80.08 -13.69 59.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.232 -178.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.5 t -132.69 7.56 4.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.766 0.317 . . . . 0.0 111.221 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -57.63 -49.78 75.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.549 -178.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 t -65.29 -35.5 81.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.78 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.0 -49.69 71.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.081 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.74 -43.64 98.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.04 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.8 -51.55 69.12 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.399 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -55.61 -43.52 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.33 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.2 m -61.56 -56.63 17.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.225 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.4 mm -59.56 -45.27 94.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.318 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.81 -36.72 73.86 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.492 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.87 -39.24 51.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.656 0.265 . . . . 0.0 110.821 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.528 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 72.2 m -62.29 -40.77 97.37 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.682 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.666 HD12 HD11 ' A' ' 22' ' ' LEU . 6.3 mp -54.19 -40.34 67.47 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.906 0.384 . . . . 0.0 111.211 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.47 ' HG3' HG11 ' A' ' 108' ' ' VAL . 76.7 ttt180 -64.58 -48.98 72.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.733 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.528 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 14.8 pt-20 -76.32 -32.59 58.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.383 -174.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.4 m -63.81 -41.08 97.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.923 -0.126 . . . . 0.0 110.665 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.46 ' HB3' ' O ' ' A' ' 107' ' ' SER . 11.4 mmt -63.51 -41.62 98.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.933 0.397 . . . . 0.0 110.95 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 28.6 ttm -70.27 -19.97 63.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -96.87 -6.08 36.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.184 0.516 . . . . 0.0 110.549 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -99.89 -58.9 1.82 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.789 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.669 HG21 ' HB ' ' A' ' 8' ' ' ILE . 79.8 p -111.83 -16.52 13.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.118 0.485 . . . . 0.0 111.261 -177.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.19 1.56 69.47 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.694 -177.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' A' ' 101' ' ' MET . 14.9 m -131.74 153.17 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.47 HG11 ' HG3' ' A' ' 98' ' ' ARG . 77.9 t -104.27 103.3 15.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.934 0.397 . . . . 0.0 110.726 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.7 119.73 20.13 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.364 175.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -81.08 -23.45 38.47 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.562 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.01 77.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.686 0.279 . . . . 0.0 110.88 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 71' ' ' ALA . 71.1 t80 -71.47 -50.95 26.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.518 -179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.656 ' HA ' HD23 ' A' ' 97' ' ' LEU . 8.6 m -54.71 -40.87 69.65 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.632 178.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.547 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 63.7 t30 -70.21 -42.0 72.92 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -53.15 -50.92 63.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.735 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.564 ' HA ' HD12 ' A' ' 119' ' ' LEU . 59.5 t -64.37 -32.73 58.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.425 -178.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.495 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 27.3 mmt -72.48 -35.94 68.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.124 0.488 . . . . 0.0 109.982 -178.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 75.4 mm-40 -74.85 -37.59 62.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.863 178.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 116' ' ' VAL . 12.6 mt -55.6 -53.39 57.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.85 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.16 -31.27 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.414 -174.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 117' ' ' MET . 96.0 mttt -71.0 -45.26 64.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.053 176.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.508 ' HE1' HD23 ' B' ' 119' ' ' LEU . 43.5 ttp -60.62 -43.53 97.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.98 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 86.0 mt -66.89 -29.96 69.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 110.726 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.327 -0.39 0 CA-C-O 121.63 0.729 . . . . 0.0 110.076 178.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.973 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.6 pp . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 121.603 0.716 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . 0.45 ' HZ3' ' HE1' ' B' ' 70' ' ' MET . 20.7 t-105 -90.11 29.82 1.17 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.673 -168.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.1 p -92.21 -8.52 45.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.225 0.536 . . . . 0.0 110.219 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.554 ' HB2' ' HB3' ' B' ' 14' ' ' ALA . 83.0 m-20 -118.35 127.84 26.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.347 178.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.29 -44.32 2.47 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.669 2.246 . . . . 0.0 113.249 -173.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -76.42 -34.56 58.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.677 0.275 . . . . 0.0 110.546 -178.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.554 ' HB3' ' HB2' ' B' ' 11' ' ' ASN . . . -64.27 -38.37 90.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.114 0.483 . . . . 0.0 109.881 174.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.56 -44.19 94.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.224 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' MET . . . . . 0.444 ' HE3' ' SD ' ' B' ' 51' ' ' MET . 39.2 ttm -59.01 -27.29 65.3 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.914 177.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 14.9 m -63.1 -40.05 96.49 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.343 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 0.485 ' CE ' ' HG ' ' B' ' 97' ' ' LEU . 12.1 ttt -63.16 -43.51 98.08 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 175.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.22 -46.2 86.33 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.669 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.89 -42.94 80.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.95 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -64.48 -33.11 75.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.818 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' B' ' 18' ' ' MET . 54.7 mt -61.81 -46.82 87.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.332 . . . . 0.0 110.577 175.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.32 -41.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.419 178.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -63.46 -40.18 96.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.978 176.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . 0.61 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 49.0 t -68.56 -39.41 81.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.938 0.399 . . . . 0.0 110.561 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.476 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -64.68 -37.34 87.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.091 0.472 . . . . 0.0 110.491 175.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 47.2 t -72.1 -30.52 65.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.831 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' B' ' 25' ' ' CYS . 9.0 ptm180 -82.84 -15.32 52.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.734 0.302 . . . . 0.0 110.696 -178.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.6 p -94.86 -49.11 5.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.725 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.88 20.41 70.71 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.392 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.542 HG13 HD12 ' B' ' 32' ' ' LEU . 14.9 p -88.16 -12.88 10.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.176 0.512 . . . . 0.0 110.399 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.542 HD12 HG13 ' B' ' 31' ' ' VAL . 5.7 mp -102.9 153.61 20.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.284 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . 0.423 ' O ' ' HG2' ' B' ' 37' ' ' MET . 78.6 p -87.91 167.65 13.57 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.138 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.72 -33.83 73.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.998 0.428 . . . . 0.0 110.725 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -54.73 -50.84 67.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.962 174.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.472 HE22 ' HB3' ' B' ' 81' ' ' SER . 93.8 mt-30 -71.95 -35.76 69.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.323 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' B' ' 33' ' ' THR . 95.5 mmm -66.3 -33.09 74.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.12 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -74.92 -32.5 61.8 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.445 ' HB3' HG22 ' B' ' 77' ' ' VAL . 0.8 OUTLIER -55.55 -52.6 63.17 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.205 0.526 . . . . 0.0 110.232 170.557 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.473 ' O ' ' HB3' ' B' ' 43' ' ' MET . 87.7 mtp -68.58 -33.64 74.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.956 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.11 -46.26 91.63 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.169 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.431 ' SD ' ' HG3' ' A' ' 62' ' ' ARG . 18.6 ptt? -73.76 -19.98 60.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.096 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . 0.473 ' HB3' ' O ' ' B' ' 40' ' ' MET . 47.0 ttp -62.24 -48.16 81.18 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 173.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.71 -35.96 82.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.315 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.34 -38.68 92.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.383 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 33.0 t -63.42 -42.7 98.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.397 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 43' ' ' MET . 41.1 t -62.21 -39.51 84.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.356 0.598 . . . . 0.0 109.656 176.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -64.76 -46.74 80.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.992 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.628 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 11.4 p -69.41 -26.4 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.524 -177.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.572 ' O ' ' HG2' ' B' ' 54' ' ' MET . 16.0 mm100 -74.17 -24.54 59.4 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.089 -0.382 . . . . 0.0 110.901 175.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . 0.444 ' SD ' ' HE3' ' B' ' 16' ' ' MET . 52.5 mtp -76.41 -20.58 56.96 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.138 176.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.531 ' HG2' ' HA ' ' B' ' 49' ' ' SER . 10.0 pt20 -93.92 -13.23 27.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.915 0.388 . . . . 0.0 110.458 174.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' B' ' 49' ' ' SER . 34.8 mmtp -71.25 -35.76 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 169.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . 0.572 ' HG2' ' O ' ' B' ' 50' ' ' GLN . 22.2 ptp -96.96 -175.49 3.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.585 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.83 -144.61 4.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.566 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -70.99 -20.49 28.99 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.186 2.591 . . . . 0.0 112.23 -178.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -130.4 79.37 72.55 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.12 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.549 ' HB3' ' HB2' ' B' ' 54' ' ' MET . 91.8 Cg_endo -81.03 160.53 20.8 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.428 2.085 . . . . 0.0 113.142 -178.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.407 ' HB2' ' CD2' ' B' ' 61' ' ' HIS . 74.3 Cg_endo -80.62 111.6 2.58 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.09 2.527 . . . . 0.0 111.302 174.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.94 -23.81 65.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.668 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . 0.65 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 5.7 p80 -69.1 -25.57 64.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.103 0.478 . . . . 0.0 110.539 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' B' ' 66' ' ' MET . 95.0 mtt180 -73.51 -21.98 60.25 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.446 175.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 79.4 mt -76.84 -37.37 55.76 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.444 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 50.3 ptt85 -63.87 -35.9 82.17 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.397 -0.521 . . . . 0.0 109.671 176.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.525 ' HB2' ' OD2' ' A' ' 39' ' ' ASP . . . -68.38 -41.16 80.99 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.905 0.384 . . . . 0.0 111.034 175.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' B' ' 62' ' ' ARG . 61.1 mtp -67.51 -24.87 65.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.78 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -57.57 -56.2 25.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.898 0.38 . . . . 0.0 110.161 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 12.6 m -69.14 -24.33 64.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.908 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.2 -58.56 7.82 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.986 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' MET . . . . . 0.45 ' HE1' ' HZ3' ' B' ' 9' ' ' TRP . 47.4 ttp -61.77 -39.82 93.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.204 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . 0.538 ' HB1' HG22 ' B' ' 116' ' ' VAL . . . -59.52 -48.08 83.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.408 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.49 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -69.89 -36.97 75.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.372 -178.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.553 ' O ' HG23 ' B' ' 77' ' ' VAL . 28.5 mm-40 -59.29 -46.05 89.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.773 0.321 . . . . 0.0 110.415 177.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.14 -44.63 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 177.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.46 91.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.813 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.523 ' HG3' ' HA ' ' A' ' 65' ' ' ALA . 5.6 tm-20 -58.64 -49.26 78.18 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.99 176.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.553 HG23 ' O ' ' B' ' 73' ' ' GLU . 94.7 t -58.03 -44.36 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.267 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.3 t -70.37 -42.89 78.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.107 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.34 -39.94 85.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.426 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . 0.659 HG21 ' HD2' ' A' ' 64' ' ' ARG . 22.9 m -80.41 79.88 6.94 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.544 0.687 . . . . 0.0 110.218 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.472 ' HB3' HE22 ' B' ' 36' ' ' GLN . 55.4 p -151.74 172.55 5.32 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.94 179.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.77 127.98 20.97 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.182 1.255 . . . . 0.0 109.673 169.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.92 -14.46 37.06 Favored 'Trans proline' 0 CA--C 1.526 0.117 0 C-N-CA 122.799 2.332 . . . . 0.0 112.578 -170.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -85.39 -17.29 37.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.944 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 32.2 t -117.48 3.64 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.385 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -56.07 -42.67 77.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.515 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 35.4 t -61.99 -42.23 98.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.191 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.49 -50.0 71.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.01 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.2 -42.13 94.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.384 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.29 -53.11 62.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.634 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -57.66 -37.18 72.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.514 -178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.422 ' OG1' HG11 ' B' ' 31' ' ' VAL . 87.0 m -62.89 -59.04 5.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.456 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.0 OUTLIER -56.85 -40.64 72.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.187 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -53.0 -46.73 60.94 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 121.209 -0.519 . . . . 0.0 112.373 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.33 -36.07 61.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.712 0.291 . . . . 0.0 110.873 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' CYS . . . . . 0.563 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 89.2 m -59.62 -37.83 79.68 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' B' ' 113' ' ' THR . 4.7 mp -58.34 -42.16 86.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.891 0.377 . . . . 0.0 110.834 178.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -65.86 -49.6 67.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.462 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.563 ' HG2' ' HA ' ' B' ' 96' ' ' CYS . 10.1 pt-20 -69.04 -32.64 72.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.224 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 67.2 m -62.52 -39.85 94.85 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.389 0.137 . . . . 0.0 110.675 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.439 ' HB3' ' O ' ' B' ' 107' ' ' SER . 15.2 mmt -61.71 -47.34 85.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.887 178.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 14.2 ttm -66.76 -33.67 76.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -85.17 -3.57 58.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.918 0.389 . . . . 0.0 111.442 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -106.59 -63.97 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.186 0.517 . . . . 0.0 111.146 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.973 HG21 ' HB ' ' B' ' 8' ' ' ILE . 75.9 p -100.14 -25.35 14.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.242 -174.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 99.96 -0.93 56.36 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . 0.439 ' O ' ' HB3' ' B' ' 101' ' ' MET . 39.6 m -132.73 154.15 50.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 55.6 t -111.0 119.71 60.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.99 0.424 . . . . 0.0 111.328 -178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -100.96 123.52 45.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.915 173.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -91.21 -16.52 27.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.671 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.83 77.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.781 0.324 . . . . 0.0 110.888 -177.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.418 ' O ' HG23 ' B' ' 116' ' ' VAL . 82.4 t80 -64.55 -54.88 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.043 177.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.534 ' HA ' HD23 ' B' ' 97' ' ' LEU . 13.9 m -48.78 -45.49 40.16 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.999 176.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 41.6 t30 -60.7 -47.45 86.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.988 0.423 . . . . 0.0 110.916 177.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -63.41 -36.76 84.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.771 -176.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.625 ' HA ' HD12 ' B' ' 119' ' ' LEU . 64.1 t -65.8 -34.39 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 176.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . 0.51 ' O ' ' HG3' ' B' ' 121' ' ' LYS . 26.0 mmt -68.25 -30.12 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' B' ' 114' ' ' ASN . 28.9 mm-40 -74.51 -42.64 58.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.789 177.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' B' ' 116' ' ' VAL . 7.2 mt -56.06 -48.22 76.46 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.357 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.67 -30.37 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.367 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' B' ' 117' ' ' MET . 88.6 mttt -60.81 -53.62 55.11 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.244 0.545 . . . . 0.0 110.242 174.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.535 ' HE1' ' HG ' ' A' ' 119' ' ' LEU . 36.3 ttp -58.55 -39.96 81.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.594 -176.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 79.7 mt -71.9 -5.91 38.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 111.246 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 32.4 t -120.71 14.74 11.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.116 0.484 . . . . 0.0 109.943 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.471 0 CA-C-O 121.16 0.505 . . . . 0.0 111.411 -177.667 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.2 pt . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.668 0.27 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.453 ' CZ2' ' HA ' ' A' ' 67' ' ' ASN . 84.4 m95 -72.1 88.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.824 0.821 . . . . 0.0 111.748 -175.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.7 m -152.69 -44.85 0.1 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.418 176.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.443 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 92.2 m-20 -96.95 121.96 57.86 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.78 174.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 11' ' ' ASN . 17.7 Cg_exo -61.25 -43.84 26.72 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.812 2.341 . . . . 0.0 112.407 -176.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -68.81 -38.41 79.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -176.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.32 -43.93 97.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.414 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.32 82.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.65 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.41 ' HE2' HG12 ' A' ' 47' ' ' VAL . 44.4 ttm -61.68 -30.0 70.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.635 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.8 m -65.37 -35.84 82.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.159 177.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.899 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -65.76 -42.19 91.19 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 176.584 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -62.3 -43.78 98.03 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.831 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -62.33 -54.74 36.18 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.265 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -60.13 -35.16 74.65 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.983 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.564 HD11 HD12 ' A' ' 97' ' ' LEU . 16.0 tp -61.12 -48.01 83.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.713 -179.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.5 t -63.94 -39.94 87.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.642 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -66.38 -38.56 87.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.049 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.9 t -65.65 -40.98 93.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.116 0.484 . . . . 0.0 109.976 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.58 -38.86 87.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.152 0.501 . . . . 0.0 110.828 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.5 t -62.63 -40.15 96.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.31 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -83.58 -11.86 56.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.591 -175.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.9 p -79.37 -58.35 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.567 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.54 0.56 60.88 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.767 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.86 HG23 HD12 ' A' ' 32' ' ' LEU . 5.2 m -74.04 -27.11 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.979 0.419 . . . . 0.0 110.538 177.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.86 HD12 HG23 ' A' ' 31' ' ' VAL . 5.5 mp -93.21 148.45 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.368 177.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.2 p -84.29 168.78 15.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.967 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.18 -25.81 67.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.067 0.46 . . . . 0.0 110.342 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.48 -55.81 18.31 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.691 176.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.406 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 44.3 mt-30 -62.24 -43.89 97.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.49 177.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 82.5 mmm -62.87 -38.18 89.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.72 -178.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.469 ' OD2' ' HE1' ' B' ' 61' ' ' HIS . 19.7 t70 -67.18 -38.14 84.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.798 0.332 . . . . 0.0 110.576 -178.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -64.72 -40.25 95.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.989 0.423 . . . . 0.0 110.532 176.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.565 ' O ' ' HB3' ' A' ' 43' ' ' MET . 90.7 mtp -68.7 -27.02 65.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.165 0.507 . . . . 0.0 110.175 175.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.73 -46.65 93.23 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.65 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.594 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 10.8 ptt? -73.05 -18.46 61.32 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.307 178.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.565 ' HB3' ' O ' ' A' ' 40' ' ' MET . 59.3 ttp -58.63 -56.64 19.53 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 172.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.9 90.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.56 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.594 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 26.1 t70 -61.0 -43.12 99.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.987 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.1 p -65.57 -37.98 88.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.536 0.208 . . . . 0.0 110.969 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 43' ' ' MET . 14.3 t -70.0 -40.12 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.292 0.567 . . . . 0.0 109.493 175.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -57.93 -54.78 43.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.056 -0.974 . . . . 0.0 111.604 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 p -70.93 -32.92 69.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.871 -176.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -72.45 -28.28 62.83 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.348 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -58.18 -52.99 63.27 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.424 176.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -71.66 -18.83 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.056 0.455 . . . . 0.0 110.983 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -70.76 -17.86 62.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.776 172.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.592 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 75.6 mtm -107.26 -52.05 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.37 -149.26 20.09 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.249 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.4 140.39 43.9 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.834 2.356 . . . . 0.0 112.527 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 45.42 70.19 2.14 Favored Pre-proline 0 N--CA 1.464 0.229 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.308 -177.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.592 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 24.5 Cg_exo -65.2 158.03 54.39 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 123.042 2.495 . . . . 0.0 112.743 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.02 119.23 6.21 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.764 2.31 . . . . 0.0 111.629 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -53.41 -32.32 49.09 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -175.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.802 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 34.9 p80 -64.6 -27.88 69.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.2 0.524 . . . . 0.0 111.057 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.559 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 15.0 ttm180 -72.5 -27.63 62.39 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.97 -40.41 53.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.7 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.802 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 32.5 ptt180 -61.85 -37.26 83.81 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.107 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.764 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -76.53 -37.15 57.14 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.059 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.54 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 94.9 mmm -69.03 -23.4 64.07 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 121.173 -0.211 . . . . 0.0 111.028 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.453 ' HA ' ' CZ2' ' A' ' 9' ' ' TRP . 21.4 t30 -55.19 -55.12 34.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.157 0.503 . . . . 0.0 109.895 172.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.485 HG22 ' HB1' ' B' ' 72' ' ' ALA . 28.7 m -73.37 -30.7 63.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.11 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.54 ' HB3' ' HA ' ' A' ' 66' ' ' MET . . . -61.75 -59.67 4.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.925 177.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.1 ttt -55.32 -44.94 76.3 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.809 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.428 ' HB1' HG22 ' A' ' 116' ' ' VAL . . . -62.1 -44.14 97.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.439 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.447 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -68.7 -34.74 76.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.227 -178.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 48.4 mt-10 -62.86 -40.89 98.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.432 178.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 78' ' ' VAL . 79.6 t -70.19 -46.18 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.718 176.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.28 75.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.809 0.337 . . . . 0.0 110.886 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.605 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 26.6 tp10 -62.71 -48.91 77.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.513 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.82 -27.97 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.55 -177.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 74' ' ' VAL . 94.7 t -76.86 -35.28 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.882 0.372 . . . . 0.0 110.269 177.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.04 -40.75 52.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.132 -177.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.5 m -90.74 72.98 6.68 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.627 0.727 . . . . 0.0 109.957 176.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.5 p -134.11 171.13 9.61 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 114.856 -1.065 . . . . 0.0 108.831 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -58.33 133.61 56.1 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 121.545 1.496 . . . . 0.0 110.736 173.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.63 -11.07 28.93 Favored 'Trans proline' 0 C--N 1.34 0.079 0 C-N-CA 122.469 2.113 . . . . 0.0 112.162 -173.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -97.8 -3.77 38.24 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.597 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.8 t -128.72 -0.8 5.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.687 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -50.33 -58.87 4.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.555 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.3 m -60.65 -29.66 69.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.667 -176.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.1 -47.05 60.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.82 0.343 . . . . 0.0 110.197 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.53 -42.88 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.231 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.38 -52.97 63.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.554 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.5 -37.05 84.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.837 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.4 m -63.65 -55.12 25.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.68 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.461 ' HA ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -60.28 -44.76 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.886 178.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.06 -41.71 85.86 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.55 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.94 -42.77 76.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.781 0.324 . . . . 0.0 110.586 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 84.7 m -59.28 -39.64 83.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.413 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.899 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 6.4 mp -56.0 -44.29 78.48 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.655 0.264 . . . . 0.0 111.443 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.404 ' HG3' HG11 ' A' ' 108' ' ' VAL . 37.1 ttt-85 -60.84 -52.88 63.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.048 0.452 . . . . 0.0 110.788 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -63.15 -47.65 81.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.909 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.6 m -55.55 -37.85 68.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.536 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.2 mmt -63.26 -44.44 95.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.975 0.416 . . . . 0.0 110.699 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 17.2 ttm -68.99 -30.51 68.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.052 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -79.9 -26.13 40.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.968 0.413 . . . . 0.0 110.724 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.05 -60.85 1.97 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.271 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.7 p -103.19 -41.46 6.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.256 0.551 . . . . 0.0 111.078 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 115.22 -4.66 21.95 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -174.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.0 m -126.42 137.93 53.48 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.404 HG11 ' HG3' ' A' ' 98' ' ' ARG . 57.4 t -87.23 106.89 16.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.833 0.349 . . . . 0.0 110.268 179.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -76.58 124.34 27.47 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.937 173.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -90.81 -15.36 30.2 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.104 -177.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.06 -51.03 51.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.728 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -68.57 -48.59 63.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.218 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.752 ' HA ' HD23 ' A' ' 97' ' ' LEU . 17.8 m -55.94 -42.49 76.24 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.481 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -72.68 -37.14 67.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.71 0.29 . . . . 0.0 110.576 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.29 -46.84 87.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.644 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.534 HG21 HD21 ' A' ' 97' ' ' LEU . 57.3 t -61.88 -34.38 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.826 178.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 30.3 mmt -70.11 -45.19 67.44 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -178.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -63.54 -38.47 91.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.968 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 116' ' ' VAL . 32.4 mt -59.75 -50.15 74.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.991 178.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.1 p -73.74 -34.53 41.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.205 -175.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -71.6 -23.36 61.7 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.679 0.276 . . . . 0.0 110.569 177.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -80.13 -45.69 17.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.765 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 67.8 mt -69.9 -23.16 63.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.282 0.563 . . . . 0.0 110.964 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.884 176.445 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--O 1.236 0.35 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -75.71 67.64 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.272 0.558 . . . . 0.0 111.639 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 85.8 m -118.06 -43.02 2.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.568 172.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -103.87 122.71 43.56 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.248 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -61.59 -40.27 48.15 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.891 2.394 . . . . 0.0 111.934 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.2 -43.07 99.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.723 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.46 89.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.723 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.2 96.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.471 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.0 ttm -65.04 -30.07 71.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.769 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 38.9 m -63.68 -39.15 93.62 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 1.031 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -63.98 -47.0 82.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.546 176.334 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.422 ' O ' HG23 ' B' ' 23' ' ' VAL . 1.5 m -58.47 -43.75 89.04 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.038 178.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -69.28 -50.48 46.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.479 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -63.15 -31.99 73.27 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.795 0.331 . . . . 0.0 110.641 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.571 HD11 HD12 ' B' ' 97' ' ' LEU . 19.0 tp -60.16 -46.0 91.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.916 177.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 19' ' ' THR . 91.0 t -63.94 -41.51 92.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.743 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -62.01 -44.45 96.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.36 . . . . 0.0 110.784 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 33.7 t -66.12 -42.61 88.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.044 0.449 . . . . 0.0 110.552 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.72 -35.29 79.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.234 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 47.4 t -70.53 -17.58 62.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.318 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -111.09 13.53 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.717 0.294 . . . . 0.0 110.916 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.512 ' HB2' HG21 ' B' ' 92' ' ' THR . 91.1 p -73.42 -42.69 61.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.743 -174.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.12 12.59 83.87 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -171.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.539 ' HB ' HD12 ' B' ' 32' ' ' LEU . 4.9 t -111.23 -44.04 5.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.036 0.446 . . . . 0.0 110.274 -178.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.539 HD12 ' HB ' ' B' ' 31' ' ' VAL . 6.4 mp -88.36 151.19 22.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.085 -175.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 65.6 p -94.27 168.68 10.75 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.259 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.23 -27.72 69.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.098 0.475 . . . . 0.0 110.355 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -58.93 -59.25 5.76 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.745 175.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.511 ' HB3' ' HB ' ' B' ' 77' ' ' VAL . 37.6 mt-30 -63.18 -39.42 94.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.711 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 76.5 mmm -68.49 -35.54 77.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.968 -177.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -72.13 -28.79 63.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.977 0.418 . . . . 0.0 109.943 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.734 ' O ' ' HG2' ' B' ' 42' ' ' MET . 70.3 m-20 -67.57 -41.27 84.44 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.214 0.531 . . . . 0.0 110.552 171.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.569 ' O ' ' HB3' ' B' ' 43' ' ' MET . 85.4 mtp -71.61 -31.92 67.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.175 0.512 . . . . 0.0 110.732 177.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.19 -43.72 96.68 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.645 175.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.734 ' HG2' ' O ' ' B' ' 39' ' ' ASP . 16.8 ptt? -66.39 -28.18 68.44 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . 0.569 ' HB3' ' O ' ' B' ' 40' ' ' MET . 54.6 ttp -57.42 -50.76 71.96 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.27 175.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.91 98.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.355 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -75.61 -31.71 60.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.933 -175.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.6 p -68.44 -41.04 80.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.691 0.281 . . . . 0.0 110.938 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 43' ' ' MET . 43.1 t -61.58 -41.33 89.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.469 0.652 . . . . 0.0 109.522 173.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -63.39 -48.76 76.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.268 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.541 ' HA ' ' HG2' ' B' ' 52' ' ' GLN . 11.1 p -67.42 -33.02 74.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.671 -176.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -62.65 -41.43 99.04 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 81.4 mmm -62.75 -45.75 91.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.648 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.541 ' HG2' ' HA ' ' B' ' 49' ' ' SER . 12.7 pt20 -72.46 -22.01 61.14 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.15 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -69.59 -42.97 73.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.498 172.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . 0.459 ' SD ' ' HD2' ' B' ' 62' ' ' ARG . 69.5 mtm -79.21 -56.79 4.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.126 -178.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.56 -152.18 16.97 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.878 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.31 130.64 17.75 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.612 2.208 . . . . 0.0 112.256 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 63.78 88.68 0.11 Allowed Pre-proline 0 N--CA 1.466 0.355 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.805 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -87.44 162.28 8.17 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.87 2.38 . . . . 0.0 112.584 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.525 ' HG2' ' HB2' ' B' ' 62' ' ' ARG . 36.9 Cg_endo -66.66 148.39 83.06 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.823 2.349 . . . . 0.0 111.728 178.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -69.8 -34.83 74.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.982 0.42 . . . . 0.0 111.204 -174.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . 0.73 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 19.6 p80 -65.07 -19.89 66.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.999 0.428 . . . . 0.0 111.213 178.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.54 ' O ' ' HG2' ' B' ' 66' ' ' MET . 0.1 OUTLIER -63.9 -45.65 88.37 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 175.153 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.9 -41.46 95.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.96 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.73 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 30.5 ptt180 -59.22 -36.61 75.73 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.724 0.297 . . . . 0.0 110.631 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.605 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -82.14 -40.17 22.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.507 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.54 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 93.8 mmm -62.15 -32.84 73.49 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.579 0.228 . . . . 0.0 111.069 -179.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -53.0 -54.46 34.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.645 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.447 HG22 ' HB1' ' A' ' 72' ' ' ALA . 4.5 m -69.03 -34.69 75.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.213 -177.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -62.86 -56.51 16.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.941 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 21.7 ttt -54.96 -46.02 75.0 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.874 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.77 -42.86 94.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.507 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.485 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -66.7 -35.21 79.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.246 -178.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 45.6 mt-10 -62.99 -41.28 99.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.31 . . . . 0.0 110.673 178.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.479 ' O ' HG23 ' B' ' 78' ' ' VAL . 73.7 t -68.86 -44.83 81.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.598 176.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.74 -36.97 75.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.806 0.336 . . . . 0.0 110.836 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.764 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 31.0 tp10 -59.9 -49.58 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.333 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.511 ' HB ' ' HB3' ' B' ' 36' ' ' GLN . 34.0 m -72.55 -25.14 22.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -175.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 74' ' ' VAL . 64.3 t -79.64 -34.94 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.069 0.462 . . . . 0.0 110.252 177.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.64 -46.01 20.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.173 -176.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 30.6 m -83.95 77.2 9.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.738 0.78 . . . . 0.0 109.95 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.0 p -147.67 173.02 4.53 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.689 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.69 133.09 43.34 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.561 1.507 . . . . 0.0 110.503 172.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.37 -12.99 37.96 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.436 2.091 . . . . 0.0 111.734 -174.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -86.14 -13.96 45.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.512 178.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . 0.426 ' O ' HG23 ' B' ' 89' ' ' VAL . 74.8 m -122.7 5.53 9.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.82 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -54.97 -59.39 4.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.161 0.505 . . . . 0.0 110.771 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 68.6 m -63.9 -25.43 68.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.119 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.88 -52.43 29.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.79 0.329 . . . . 0.0 110.229 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.499 HG22 HG12 ' B' ' 31' ' ' VAL . 59.0 t -61.79 -44.41 98.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.024 177.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.19 -52.25 66.09 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.875 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -61.74 -40.0 93.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.832 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.512 HG21 ' HB2' ' B' ' 29' ' ' SER . 60.8 m -64.34 -52.09 60.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.471 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -59.64 -47.61 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.783 178.493 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.61 -42.52 84.74 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.447 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.34 -44.99 74.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.645 0.26 . . . . 0.0 111.0 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 93.1 m -60.78 -36.35 78.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.181 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 1.031 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 3.5 mp -57.14 -50.55 72.45 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.031 0.443 . . . . 0.0 110.984 176.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 98' ' ' ARG . 40.3 ttt180 -56.56 -44.69 81.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.288 -177.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -76.01 -37.99 57.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.303 -176.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 59.5 m -59.52 -39.5 84.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.572 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 10.8 mmt -63.52 -43.91 95.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 39.9 ttm -67.89 -30.94 70.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.206 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -80.03 -21.21 43.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.879 0.371 . . . . 0.0 110.969 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.67 -49.31 6.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.261 -178.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 66.5 p -107.37 -53.43 2.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.141 0.496 . . . . 0.0 111.106 -178.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 137.0 -10.73 3.9 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.436 -176.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 48.7 m -137.83 176.61 8.55 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 59.4 t -98.71 112.85 31.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.862 0.363 . . . . 0.0 111.531 -176.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -77.94 115.08 17.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.554 173.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.89 -19.39 25.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.7 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.71 -50.86 65.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.881 0.372 . . . . 0.0 110.717 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -71.1 -47.11 60.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.351 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.616 ' HA ' HD23 ' B' ' 97' ' ' LEU . 18.8 m -57.38 -41.48 80.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.832 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -70.81 -38.77 73.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.356 . . . . 0.0 110.325 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -56.67 -45.62 81.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.594 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.489 HG21 HD21 ' B' ' 97' ' ' LEU . 60.4 t -62.61 -36.58 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' B' ' 113' ' ' THR . 26.5 mmt -66.03 -46.33 78.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.067 0.46 . . . . 0.0 109.799 -178.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -64.93 -40.13 94.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.561 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.51 -50.24 73.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.394 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 12.8 p -68.84 -32.97 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.284 -175.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' B' ' 117' ' ' MET . 28.5 mtpp -70.39 -39.46 74.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 110.718 178.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.406 ' HE3' ' HB3' ' B' ' 122' ' ' MET . 11.9 tmm? -70.62 -33.35 70.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.649 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.82 -10.54 59.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.654 0.74 . . . . 0.0 109.623 177.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 49.6 m -116.31 27.91 8.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.861 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.26 -172.275 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.3 pt . . . . . 0 CA--C 1.531 0.247 0 CA-C-O 121.057 0.456 . . . . 0.0 111.481 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.402 ' CZ2' ' HA ' ' A' ' 67' ' ' ASN . 47.4 m95 -85.93 31.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.366 -177.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.1 p -73.03 -39.12 66.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.387 0.613 . . . . 0.0 109.588 174.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -122.54 137.51 27.91 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.58 174.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.776 ' HG3' ' HG3' ' A' ' 58' ' ' PRO . 31.4 Cg_endo -65.69 -33.38 44.87 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.66 2.24 . . . . 0.0 112.401 -175.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -74.41 -34.42 63.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.576 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.59 -46.33 86.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.226 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.81 -39.33 80.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.781 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.2 ttm -61.0 -29.98 70.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.613 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.0 m -63.14 -40.66 98.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.198 176.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.974 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -63.76 -41.89 97.9 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.234 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -60.87 -44.46 97.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.859 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -68.66 -50.37 51.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.635 -178.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -58.55 -35.53 72.48 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.778 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.537 HD11 HD12 ' A' ' 97' ' ' LEU . 15.1 tp -58.24 -44.85 88.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.433 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.97 -43.3 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.995 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -62.43 -40.81 97.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.265 0.555 . . . . 0.0 110.311 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.569 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -68.51 -35.62 77.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.325 179.62 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.64 -34.62 74.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.255 0.55 . . . . 0.0 110.898 174.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.9 t -70.8 -36.04 72.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.071 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.569 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 16.0 ptm180 -85.08 -1.13 56.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.342 -178.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 p -99.23 -47.0 5.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.023 0.44 . . . . 0.0 109.828 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.78 16.96 71.56 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.143 173.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.484 HG21 ' OG1' ' A' ' 92' ' ' THR . 20.7 t -76.8 -28.0 17.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.397 0.617 . . . . 0.0 110.323 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.461 ' HB3' ' HB2' ' A' ' 36' ' ' GLN . 5.5 mp -90.8 155.99 18.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.078 -174.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.3 p -92.5 178.18 5.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.705 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 -41.83 92.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.077 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.598 ' HB3' HH22 ' B' ' 64' ' ' ARG . 6.3 m-20 -57.32 -51.81 67.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.056 0.455 . . . . 0.0 110.55 177.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.461 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 21.5 mt-30 -65.3 -42.66 92.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.188 -175.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 91.5 mmm -67.45 -37.07 82.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -71.57 -27.14 62.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.21 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.23 -48.87 63.99 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.197 173.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.0 mtp -64.28 -35.28 80.32 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.995 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.19 -42.96 99.73 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.552 175.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.9 tmm? -64.77 -36.41 84.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.607 0.241 . . . . 0.0 110.463 177.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.415 ' O ' HG23 ' A' ' 47' ' ' VAL . 49.8 ttp -55.82 -46.73 78.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.748 177.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.38 93.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.775 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.9 -37.87 87.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.412 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.4 t -56.2 -48.25 76.78 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.512 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 43' ' ' MET . 17.7 t -61.88 -37.81 79.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.097 0.475 . . . . 0.0 110.475 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -70.06 -32.76 71.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.568 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.467 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 67.1 m -59.21 -39.91 84.13 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -170.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.461 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 26.6 mt-30 -87.52 -17.22 32.57 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.749 -178.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 87.2 mmm -76.85 -35.48 57.46 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.092 172.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -78.79 -16.85 56.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.88 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 49' ' ' SER . 57.2 mttm -60.09 -37.09 78.91 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.761 0.791 . . . . 0.0 110.001 169.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.636 ' HE3' HH11 ' A' ' 62' ' ' ARG . 22.5 ptp -116.5 -165.27 1.04 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.153 -168.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -136.19 -95.88 0.46 Allowed Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.867 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -85.6 125.95 2.95 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 123.133 2.555 . . . . 0.0 113.576 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 67.66 97.5 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.431 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.294 172.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.776 ' HG3' ' HG3' ' A' ' 12' ' ' PRO . 93.4 Cg_endo -80.45 160.95 22.55 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.5 2.133 . . . . 0.0 112.426 176.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.449 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 21.8 Cg_endo -63.16 122.64 10.93 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.816 2.344 . . . . 0.0 111.505 174.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -64.34 -35.54 81.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.298 0.571 . . . . 0.0 110.577 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.651 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 21.3 p80 -65.49 -25.54 67.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.373 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.636 HH11 ' HE3' ' A' ' 54' ' ' MET . 26.5 ttp180 -70.19 -33.62 71.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.45 -46.32 80.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.533 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 18.8 ptt180 -62.84 -35.68 80.75 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.713 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.738 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -74.49 -43.24 56.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.592 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.432 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 80.3 mtp -76.61 -14.52 59.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.128 -177.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.402 ' HA ' ' CZ2' ' A' ' 9' ' ' TRP . 55.3 t-20 -53.98 -63.37 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.851 175.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.512 HG21 HD11 ' B' ' 123' ' ' LEU . 84.2 m -66.66 -25.42 66.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.139 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -62.06 -49.72 74.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.596 0.236 . . . . 0.0 110.744 177.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.2 ttt -58.61 -46.01 87.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.358 177.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.411 ' HB2' ' CE1' ' A' ' 112' ' ' PHE . . . -62.82 -43.59 98.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.475 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.548 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -62.86 -41.1 99.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.34 -178.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 77' ' ' VAL . 44.7 mt-10 -62.74 -42.44 99.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.222 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.35 -47.62 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.89 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.45 89.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.702 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.78 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 35.7 tp10 -58.25 -49.48 76.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.308 176.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 73' ' ' GLU . 94.3 t -55.04 -47.82 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.028 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.3 t -67.38 -41.59 86.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.295 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.65 -14.81 61.23 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.468 HG21 ' HD2' ' B' ' 64' ' ' ARG . 3.0 m -106.06 19.22 20.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.343 0.592 . . . . 0.0 110.695 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.6 p -84.87 169.17 17.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . 26.1 Cg_exo -63.07 139.09 71.14 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.821 1.68 . . . . 0.0 110.51 176.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 82' ' ' PRO . 21.6 Cg_exo -55.32 -32.04 79.51 Favored 'Trans proline' 0 CA--C 1.519 -0.266 0 C-N-CA 122.561 2.174 . . . . 0.0 111.793 -174.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -81.87 -4.8 57.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.561 -176.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.6 m -128.42 0.93 5.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.936 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -57.61 -47.28 82.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.851 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.2 t -63.17 -34.74 78.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.711 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.33 -51.3 31.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.727 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.86 -43.31 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.38 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.16 -51.51 69.05 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.085 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -57.53 -40.24 78.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.065 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.484 ' OG1' HG21 ' A' ' 31' ' ' VAL . 44.4 m -65.71 -50.85 63.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.351 -177.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.1 mm -64.94 -46.68 90.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.01 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.31 -43.25 89.65 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.545 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.4 -12.66 58.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.943 0.401 . . . . 0.0 111.088 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.498 ' SG ' HD12 ' A' ' 22' ' ' LEU . 50.7 t -84.5 -36.44 22.22 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.601 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.974 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 7.7 mp -59.54 -39.79 85.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.859 0.361 . . . . 0.0 111.092 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.418 ' HA ' HG23 ' A' ' 108' ' ' VAL . 51.2 ttt180 -57.99 -45.44 86.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.477 176.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -69.83 -50.17 45.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.057 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.1 m -54.39 -40.74 68.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.586 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.51 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 13.2 mmt -64.41 -43.25 94.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.921 0.391 . . . . 0.0 111.027 177.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 17.4 ttm -70.32 -26.22 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.422 -177.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -84.89 -31.74 23.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.925 0.393 . . . . 0.0 110.871 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.13 -60.21 2.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.378 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 73.1 p -103.31 -33.62 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.976 0.417 . . . . 0.0 111.316 -175.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 114.64 -10.85 21.38 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -176.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.1 m -132.47 149.12 52.39 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.51 ' HA ' ' HB3' ' A' ' 101' ' ' MET . 4.2 p -96.95 114.7 34.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.277 0.56 . . . . 0.0 110.948 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -78.3 134.56 37.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.965 173.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -97.1 -14.95 21.22 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.369 -177.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.3 -53.34 37.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.76 0.314 . . . . 0.0 110.46 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 71' ' ' ALA . 74.1 t80 -68.37 -47.93 66.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.263 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.582 ' HA ' HD23 ' A' ' 97' ' ' LEU . 17.9 m -56.42 -37.95 70.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.162 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 63.8 t30 -77.56 -34.06 53.87 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.426 178.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -56.98 -47.85 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.951 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.571 ' HA ' HD12 ' A' ' 119' ' ' LEU . 15.0 m -64.19 -30.54 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.715 0.293 . . . . 0.0 110.978 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.436 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 27.7 mmt -70.81 -40.97 72.19 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -178.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 25.0 mm-40 -68.02 -42.16 81.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.816 177.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 116' ' ' VAL . 19.2 mt -57.39 -51.65 68.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.336 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.82 -28.65 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.3 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -76.57 -13.94 60.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.064 0.459 . . . . 0.0 110.569 176.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 47.6 ttp -93.59 -44.61 8.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.417 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.49 -33.12 72.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.484 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.8 t . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.057 -175.613 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 pt . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.961 0.41 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -80.07 54.63 1.96 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.233 0.539 . . . . 0.0 111.638 -175.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.6 p -107.36 -17.83 14.03 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.493 0.663 . . . . 0.0 109.863 174.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.457 ' HA ' ' HD3' ' B' ' 12' ' ' PRO . 46.9 m-80 -135.93 132.07 19.22 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.99 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' PRO . . . . . 0.715 ' HG3' HH22 ' B' ' 62' ' ' ARG . 20.3 Cg_exo -61.12 -46.45 15.55 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.78 2.32 . . . . 0.0 112.409 -176.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -68.97 -40.15 79.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.707 -175.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -45.91 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.922 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.33 84.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' MET . . . . . 0.486 ' HE2' HG12 ' B' ' 47' ' ' VAL . 47.9 ttm -64.17 -25.98 68.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.784 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 46.1 m -65.42 -34.76 79.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.034 0.445 . . . . 0.0 110.197 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 1.003 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -65.77 -43.79 87.76 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 176.666 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -41.49 92.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.727 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -65.33 -51.74 58.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.529 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.21 -31.28 70.01 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.092 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.561 HD11 HD12 ' B' ' 97' ' ' LEU . 12.1 tp -63.94 -45.95 86.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.969 0.414 . . . . 0.0 110.54 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 66.1 t -64.7 -38.87 83.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.702 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -61.18 -41.31 96.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.796 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -50.21 74.9 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.944 0.402 . . . . 0.0 110.915 174.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.474 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -62.36 -38.99 91.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.344 -176.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 37.1 t -68.58 -40.6 80.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.032 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -76.25 -29.86 57.67 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.147 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 36.2 p -73.78 -51.91 14.87 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.884 0.373 . . . . 0.0 110.53 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.38 14.21 81.76 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.388 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.0 p -83.22 -12.49 12.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.517 0.675 . . . . 0.0 110.102 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.489 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.6 mp -97.18 152.21 19.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.492 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 42.9 p -86.18 175.59 8.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.216 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.54 83.56 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.808 0.337 . . . . 0.0 110.391 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.515 ' HB3' HH22 ' A' ' 64' ' ' ARG . 2.3 m-20 -51.44 -61.89 1.96 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.633 0.73 . . . . 0.0 110.222 172.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.489 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 23.3 mt-30 -62.42 -39.67 94.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.753 -172.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 77.7 mmm -65.64 -40.98 93.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.477 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -75.84 -30.37 58.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.443 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.3 -47.13 80.64 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.921 0.391 . . . . 0.0 110.388 174.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.438 ' O ' ' HB3' ' B' ' 43' ' ' MET . 89.4 mtp -67.96 -36.05 79.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 179.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.96 -43.17 97.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.353 175.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 9.5 tmm? -59.88 -42.89 94.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.742 0.306 . . . . 0.0 110.267 175.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . 0.461 ' O ' HG23 ' B' ' 47' ' ' VAL . 47.8 ttp -50.69 -47.42 58.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.113 177.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.22 88.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.389 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -70.19 -34.1 72.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.044 0.449 . . . . 0.0 110.715 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -61.85 -48.79 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.223 175.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.486 HG12 ' HE2' ' B' ' 16' ' ' MET . 75.7 t -58.5 -36.4 59.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.584 178.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.478 ' O ' ' HG2' ' B' ' 51' ' ' MET . 9.1 m-80 -63.19 -40.91 98.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.533 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.413 ' HA ' ' HG2' ' B' ' 52' ' ' GLN . 72.2 m -59.97 -36.14 76.48 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.869 177.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -88.09 27.0 1.26 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.59 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' B' ' 48' ' ' ASN . 8.8 ptm -129.42 -32.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 167.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' B' ' 48' ' ' ASN . 3.7 pt20 -79.45 -24.97 42.07 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.005 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -68.48 -19.27 64.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.11 175.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . 0.511 ' SD ' ' HD2' ' B' ' 59' ' ' PRO . 66.5 mtm -122.65 -176.7 3.45 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.864 -177.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.17 -129.91 3.36 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.129 -1.034 . . . . 0.0 113.323 -175.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -85.15 12.06 3.19 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 123.302 2.668 . . . . 0.0 113.531 -172.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -156.34 80.67 3.74 Favored Pre-proline 0 C--N 1.316 -0.848 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.044 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -90.2 154.45 4.67 Favored 'Trans proline' 0 N--CA 1.449 -1.096 0 C-N-CA 122.926 2.417 . . . . 0.0 112.627 174.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.511 ' HD2' ' SD ' ' B' ' 54' ' ' MET . 28.1 Cg_endo -63.1 138.26 66.28 Favored 'Trans proline' 0 C--O 1.238 0.507 0 C-N-CA 123.408 2.739 . . . . 0.0 112.933 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -76.21 -37.33 57.92 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.704 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . 0.846 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 25.2 p80 -60.73 -31.62 70.92 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 121.436 0.636 . . . . 0.0 109.819 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.715 HH22 ' HG3' ' B' ' 12' ' ' PRO . 2.5 ttp180 -59.95 -37.53 79.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.112 176.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.3 mt -68.58 -39.4 80.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.888 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.846 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 32.8 ptt180 -62.93 -33.71 75.92 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.179 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . 0.78 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -80.33 -36.4 34.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.863 0.363 . . . . 0.0 111.231 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.514 ' HG3' ' O ' ' B' ' 62' ' ' ARG . 84.6 mtp -70.04 -22.86 63.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.677 178.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -52.53 -54.75 28.46 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.363 172.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.548 HG22 ' HB1' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -66.71 -34.61 78.22 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.886 -179.4 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -62.35 -53.96 47.34 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.438 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 21.6 ttt -59.81 -44.27 94.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.017 0.437 . . . . 0.0 110.512 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.77 -46.15 83.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.498 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.54 -38.43 89.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.406 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.549 ' O ' HG23 ' B' ' 77' ' ' VAL . 42.6 mt-10 -62.44 -46.62 87.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.6 179.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.41 ' O ' ' HB ' ' B' ' 77' ' ' VAL . 38.8 t -59.72 -45.42 94.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.831 0.348 . . . . 0.0 110.993 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.38 99.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.591 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.738 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 13.0 tp10 -59.58 -39.71 85.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.887 175.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.549 HG23 ' O ' ' B' ' 73' ' ' GLU . 42.9 t -60.09 -48.41 88.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.875 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.525 HG11 HD12 ' B' ' 90' ' ' LEU . 22.5 t -71.94 -33.92 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 -177.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.38 5.89 16.12 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . 0.417 ' O ' HG22 ' B' ' 80' ' ' THR . 14.9 m -113.44 15.66 19.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.848 0.832 . . . . 0.0 109.779 176.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 87.8 p -92.5 158.53 38.39 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.735 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.23 150.7 87.86 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.23 1.953 . . . . 0.0 111.078 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -55.48 -35.94 93.24 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.615 2.21 . . . . 0.0 111.481 -176.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -74.98 -11.78 60.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.032 -0.986 . . . . 0.0 111.996 -177.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 14.6 m -117.79 -9.89 10.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.7 0.286 . . . . 0.0 110.923 -177.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -54.13 -50.18 67.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.617 -175.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 35.4 t -61.69 -44.35 97.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.817 0.342 . . . . 0.0 110.9 -177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.66 75.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.166 -178.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 73.9 t -64.72 -45.25 95.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.633 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.755 HD11 HG11 ' B' ' 120' ' ' VAL . 13.5 tp -58.3 -49.81 75.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.687 -178.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -60.3 -38.77 84.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.027 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 55.6 m -66.73 -50.75 61.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.776 -177.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.1 mm -62.07 -49.11 85.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.753 178.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.24 -42.51 88.46 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.695 -177.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.44 -38.68 68.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.838 0.351 . . . . 0.0 111.04 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 22.8 m -70.03 -27.89 65.04 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 1.003 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 4.7 mp -59.36 -37.13 77.1 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.464 176.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . 0.493 ' HA ' HG23 ' B' ' 108' ' ' VAL . 73.1 ttt-85 -63.89 -48.39 76.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.176 176.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -67.35 -49.66 63.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.196 -177.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 66.8 m -54.07 -42.81 69.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.247 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.507 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 13.7 mmt -62.77 -45.98 90.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.037 0.446 . . . . 0.0 110.77 177.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 31.6 ttm -70.33 -23.6 62.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.472 -176.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -91.1 -8.93 47.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.939 0.4 . . . . 0.0 110.85 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.37 -55.9 2.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.339 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 70.0 p -105.5 -8.75 17.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.125 0.488 . . . . 0.0 110.892 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.17 5.03 86.09 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.577 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 12.5 p -149.11 144.27 26.54 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.507 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 2.5 p -89.81 114.11 27.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.053 0.454 . . . . 0.0 110.997 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.89 133.08 43.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.765 172.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -92.59 -22.22 19.62 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.798 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.81 -50.29 67.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.698 0.285 . . . . 0.0 110.764 -177.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -71.71 -46.53 58.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.531 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.584 ' HA ' HD23 ' B' ' 97' ' ' LEU . 13.8 m -59.39 -39.39 83.23 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.823 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -72.27 -39.33 68.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.763 0.316 . . . . 0.0 110.477 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.426 ' OE1' ' HA ' ' B' ' 68' ' ' THR . 34.0 tt0 -54.05 -51.37 64.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.407 -175.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.511 ' HA ' HD12 ' B' ' 119' ' ' LEU . 17.6 m -64.67 -31.33 53.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 111.48 0.178 . . . . 0.0 111.48 -176.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . 0.596 ' HA ' ' HE2' ' B' ' 117' ' ' MET . 28.2 mmt -71.43 -29.24 64.66 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.935 0.398 . . . . 0.0 110.287 -177.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -83.15 -41.07 18.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.838 175.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' B' ' 116' ' ' VAL . 22.5 mt -55.23 -53.9 50.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.345 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . 0.755 HG11 HD11 ' B' ' 90' ' ' LEU . 12.3 p -63.74 -40.71 90.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.831 -172.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.99 -33.84 70.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.846 0.355 . . . . 0.0 110.608 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 40.5 ttp -66.02 -37.59 86.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.016 175.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.512 HD11 HG21 ' A' ' 68' ' ' THR . 88.0 mt -82.45 3.16 29.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.763 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 46.3 m -120.94 15.35 11.65 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.171 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 121.405 0.621 . . . . 0.0 111.542 -174.805 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.977 ' HB ' HG21 ' A' ' 105' ' ' THR . 2.6 pp . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.923 0.392 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.476 ' CZ2' ' HA ' ' A' ' 67' ' ' ASN . 76.1 m95 -81.32 26.21 0.46 Allowed 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.54 -178.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -82.18 -8.99 59.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.427 0.632 . . . . 0.0 109.757 175.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -134.27 119.6 14.45 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.867 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -68.91 -35.09 16.13 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.863 2.375 . . . . 0.0 112.883 -173.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -79.57 -31.92 41.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.99 0.424 . . . . 0.0 110.375 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.8 81.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.108 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.38 90.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.593 177.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.407 ' HE2' ' HB2' ' A' ' 16' ' ' MET . 50.1 ttm -61.16 -32.1 71.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.661 177.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.7 m -64.82 -35.93 82.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.348 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.5 ' HE1' ' HA ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -66.01 -42.03 90.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 177.611 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.24 -42.8 99.64 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.499 177.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -65.82 -44.01 86.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.286 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -63.59 -36.09 82.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.378 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.646 HD21 HD12 ' A' ' 97' ' ' LEU . 32.6 mt -59.92 -44.56 94.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.726 0.298 . . . . 0.0 111.036 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.5 t -65.55 -36.6 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.96 0.41 . . . . 0.0 110.498 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.421 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 43.1 mt-30 -65.21 -52.62 53.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.762 177.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.535 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 31.6 p -66.92 -34.31 77.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.637 0.256 . . . . 0.0 111.081 -176.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.83 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.916 0.388 . . . . 0.0 111.141 177.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.8 t -69.09 -26.0 64.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.18 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.535 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 13.0 ptm85 -96.85 -2.31 44.27 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.613 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.5 p -97.48 -45.81 6.29 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.45 28.69 65.22 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.745 -0.662 . . . . 0.0 112.987 174.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.7 t -87.14 -26.71 5.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.742 0.782 . . . . 0.0 109.323 175.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HG ' HG13 ' A' ' 89' ' ' VAL . 5.3 mp -86.62 156.48 20.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.268 -177.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.503 ' H ' ' NE2' ' A' ' 36' ' ' GLN . 49.9 p -91.11 174.46 7.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.646 -178.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.65 91.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.703 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.79 -50.26 72.86 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.401 0.62 . . . . 0.0 109.819 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.503 ' NE2' ' H ' ' A' ' 33' ' ' THR . 48.9 mt-30 -63.79 -44.29 93.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.611 -177.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 82.1 mmm -64.07 -41.66 97.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.589 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.514 ' OD2' ' HD3' ' B' ' 62' ' ' ARG . 35.5 t70 -68.32 -34.4 76.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 110.763 -178.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -64.26 -48.5 75.51 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.025 0.44 . . . . 0.0 110.231 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.52 ' HG3' HG21 ' A' ' 77' ' ' VAL . 89.1 mtp -65.44 -29.77 70.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.667 177.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.06 -48.57 85.41 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.99 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -73.35 -20.13 60.84 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.114 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.444 ' SD ' HG23 ' A' ' 74' ' ' VAL . 47.1 ttp -61.85 -50.72 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.952 0.406 . . . . 0.0 110.132 175.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.51 94.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.425 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.9 -32.15 72.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.504 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.7 t -60.84 -47.47 86.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.453 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 43' ' ' MET . 14.7 t -61.97 -36.06 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.983 0.42 . . . . 0.0 110.192 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.689 ' O ' ' HG3' ' A' ' 51' ' ' MET . 24.6 m-80 -75.64 -41.27 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.08 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 11.4 p -70.32 -49.5 48.8 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.963 -0.46 . . . . 0.0 111.193 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -63.35 -32.25 73.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.306 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.689 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 4.4 ppp? -67.86 -36.63 80.63 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.179 179.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.626 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 44.3 mt-30 -75.04 -23.68 58.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 110.506 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 49' ' ' SER . 13.5 mmmm -68.65 -24.54 64.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.793 174.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 66.1 mtm -108.12 -41.65 4.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.61 -173.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.96 172.8 12.87 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.27 -19.71 56.05 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.486 2.124 . . . . 0.0 112.435 -178.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -132.96 75.42 72.28 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.814 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.82 158.45 46.75 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.733 2.288 . . . . 0.0 112.942 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.742 ' HG2' ' HG2' ' A' ' 62' ' ' ARG . 19.9 Cg_endo -63.9 153.32 76.44 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.848 2.365 . . . . 0.0 111.97 176.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -55.0 -44.57 74.62 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -172.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.464 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 12.9 p80 -66.8 -18.37 65.34 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.871 -173.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.742 ' HG2' ' HG2' ' A' ' 59' ' ' PRO . 34.9 mmt180 -65.98 -47.15 75.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.4 mt -65.76 -31.7 72.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.989 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.73 HH11 ' HG2' ' A' ' 64' ' ' ARG . 26.7 ttp85 -54.08 -52.07 62.12 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.956 175.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.674 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -76.87 -32.43 57.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.631 -178.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 85.3 mmm -60.64 -32.31 71.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.663 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.476 ' HA ' ' CZ2' ' A' ' 9' ' ' TRP . 6.4 t30 -52.49 -55.32 22.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.095 0.474 . . . . 0.0 110.744 176.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.468 HG22 ' HB1' ' B' ' 72' ' ' ALA . 26.4 m -76.1 -28.42 57.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.013 -176.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.557 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.22 -55.43 32.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.825 0.345 . . . . 0.0 110.626 177.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.8 ttt -60.6 -43.03 97.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.609 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.95 95.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.298 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.453 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -65.04 -40.06 94.26 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.278 -178.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 42.6 mt-10 -60.88 -48.15 83.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.98 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.444 HG23 ' SD ' ' A' ' 43' ' ' MET . 53.5 t -61.27 -43.57 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.968 0.413 . . . . 0.0 110.792 177.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.82 -42.41 97.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.501 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.42 -39.63 93.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.005 0.431 . . . . 0.0 110.008 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.52 HG21 ' HG3' ' A' ' 40' ' ' MET . 28.9 t -56.23 -55.19 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.91 176.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.442 ' HB ' HG21 ' A' ' 120' ' ' VAL . 52.5 t -67.27 -38.56 81.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.61 -177.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.81 -26.74 65.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -176.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.4 m -98.08 28.54 3.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.846 0.832 . . . . 0.0 110.964 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 87.4 p -97.2 161.38 26.35 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 170.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.16 135.51 70.34 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 121.633 1.556 . . . . 0.0 110.478 174.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -62.65 -13.53 34.45 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.629 2.22 . . . . 0.0 112.229 -172.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -84.25 -18.23 37.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.856 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 t -119.34 -1.1 10.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.072 0.463 . . . . 0.0 110.254 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -51.93 -56.34 14.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.29 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m -60.54 -27.38 67.6 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.834 -176.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.23 -48.91 25.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.981 0.42 . . . . 0.0 110.459 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.495 HG13 ' HG ' ' A' ' 32' ' ' LEU . 60.7 t -64.16 -42.42 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.055 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 tt -56.02 -52.38 64.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.472 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -58.73 -42.1 87.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.3 m -61.41 -46.25 90.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.612 -177.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.2 mm -68.91 -45.12 81.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.779 177.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.53 -41.89 98.9 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.522 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.03 -39.99 83.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.806 0.336 . . . . 0.0 110.54 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.431 ' SG ' HD23 ' A' ' 22' ' ' LEU . 49.2 t -68.69 -36.58 78.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.122 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.646 HD12 HD21 ' A' ' 22' ' ' LEU . 1.1 mp -50.54 -56.75 10.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.679 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -60.09 -48.08 83.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.095 -175.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.06 -43.14 83.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.019 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.6 m -54.52 -39.58 67.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.336 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.698 ' HG3' ' HB3' ' A' ' 109' ' ' ASP . 20.6 mmt -66.65 -40.54 88.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.76 0.314 . . . . 0.0 110.744 177.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.0 tpp -61.35 -32.66 72.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.918 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -84.98 -39.73 17.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.559 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.33 -55.63 11.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.865 -176.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.977 HG21 ' HB ' ' A' ' 8' ' ' ILE . 76.4 p -103.25 -34.07 8.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.978 0.418 . . . . 0.0 111.287 -175.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.1 -2.22 31.43 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.551 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.0 m -133.3 157.65 44.93 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.6 t -85.64 108.32 17.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.312 0.577 . . . . 0.0 110.4 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.698 ' HB3' ' HG3' ' A' ' 101' ' ' MET . 0.1 OUTLIER -67.24 137.95 56.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.025 171.694 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -126.94 19.05 7.15 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -103.41 -54.45 2.59 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 116' ' ' VAL . 65.6 t80 -70.8 -46.87 62.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.943 178.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.591 ' HA ' HD23 ' A' ' 97' ' ' LEU . 30.8 m -60.76 -39.85 90.3 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.186 0.517 . . . . 0.0 110.467 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -66.07 -44.43 84.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.368 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.07 -47.43 85.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.733 -176.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 112' ' ' PHE . 71.5 t -57.38 -41.61 78.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.959 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 30.3 mmt -63.95 -43.35 96.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.057 -177.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -72.72 -37.97 67.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.795 0.331 . . . . 0.0 110.575 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 24.0 mt -58.06 -52.82 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.133 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.442 HG21 ' HB ' ' A' ' 78' ' ' VAL . 10.8 p -67.51 -31.9 54.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.357 -175.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -70.07 -42.98 72.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.447 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -66.18 -43.16 87.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.951 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 88.8 mt -71.19 -16.37 62.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.726 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 120.99 0.424 . . . . 0.0 110.492 -179.563 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.432 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.5 pp . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.98 0.419 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 53.1 m95 -75.67 12.93 0.9 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.901 -178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.2 m -74.26 -19.75 60.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.721 0.772 . . . . 0.0 108.945 170.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -122.17 115.64 30.17 Favored Pre-proline 0 N--CA 1.452 -0.33 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.464 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' PRO . . . . . 0.476 ' HG3' ' HD2' ' B' ' 58' ' ' PRO . 37.8 Cg_endo -71.55 -30.27 15.2 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.935 2.423 . . . . 0.0 112.52 -176.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -70.16 -40.76 74.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.056 0.455 . . . . 0.0 109.855 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.493 ' HB1' HG22 ' B' ' 105' ' ' THR . . . -63.17 -47.28 83.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.523 178.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.49 98.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.848 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 46.5 ttm -61.54 -35.83 78.84 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.983 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 35.3 m -62.68 -38.96 92.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.157 0.504 . . . . 0.0 109.847 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' MET . . . . . 1.044 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -64.15 -40.27 95.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.845 178.618 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -60.63 -42.77 97.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.049 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -71.39 -38.48 71.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.097 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . 0.449 ' HA ' HE21 ' B' ' 24' ' ' GLN . 95.0 m-20 -62.41 -38.84 91.22 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.131 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.411 HD23 ' SG ' ' B' ' 96' ' ' CYS . 48.6 mt -59.81 -40.02 86.97 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.986 0.422 . . . . 0.0 111.475 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 97.0 t -67.39 -37.87 79.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.998 0.428 . . . . 0.0 110.475 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.449 HE21 ' HA ' ' B' ' 21' ' ' ASN . 48.3 mt-30 -63.48 -50.88 67.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.269 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . 0.52 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 29.8 p -66.76 -36.57 82.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.718 0.294 . . . . 0.0 110.895 -177.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.28 -44.12 92.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.888 0.375 . . . . 0.0 111.271 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 34.0 t -65.72 -40.66 92.44 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.52 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 4.2 ptm180 -78.3 -21.96 48.9 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.502 -177.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.9 p -78.01 -41.67 35.09 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.26 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.29 19.5 78.27 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.708 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.442 HG12 HG22 ' B' ' 89' ' ' VAL . 19.3 t -81.67 -40.55 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.319 0.58 . . . . 0.0 110.091 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.422 ' N ' HD12 ' B' ' 32' ' ' LEU . 5.5 mp -78.54 158.06 28.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.817 -176.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 28.0 p -92.72 175.49 6.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.972 -177.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.82 96.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.827 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.74 -42.61 84.26 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.484 177.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -69.93 -47.14 63.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.629 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 84.4 mmm -62.55 -40.23 96.15 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 111.173 -179.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -68.79 -31.29 70.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.596 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.615 ' O ' ' HG2' ' B' ' 42' ' ' MET . 0.9 OUTLIER -66.63 -49.74 65.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.012 176.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.549 ' HG3' HG21 ' B' ' 77' ' ' VAL . 91.1 mtp -64.25 -28.47 69.75 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.173 0.511 . . . . 0.0 110.734 177.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.05 -43.14 97.74 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.239 177.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.615 ' HG2' ' O ' ' B' ' 39' ' ' ASP . 18.8 ptt? -71.41 -25.71 62.45 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' MET . . . . . 0.483 ' HB3' ' O ' ' B' ' 40' ' ' MET . 49.4 ttp -57.87 -48.96 78.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.046 0.45 . . . . 0.0 110.302 175.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.04 95.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.772 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.53 -37.97 89.36 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.988 0.423 . . . . 0.0 110.609 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 43.2 t -56.77 -50.45 72.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.76 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 43' ' ' MET . 11.2 t -63.07 -38.61 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.7 -178.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . 0.584 ' O ' ' HG3' ' B' ' 51' ' ' MET . 30.5 m-80 -73.3 -33.37 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.41 ' HA ' HE21 ' B' ' 52' ' ' GLN . 31.1 p -78.11 -45.92 22.12 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.783 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.417 ' HA ' ' HB2' ' B' ' 53' ' ' LYS . 17.7 mt-30 -72.13 -19.56 61.76 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.392 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . 0.584 ' HG3' ' O ' ' B' ' 48' ' ' ASN . 3.1 ppp? -69.13 -34.66 75.39 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.41 HE21 ' HA ' ' B' ' 49' ' ' SER . 44.4 mt-30 -76.24 -27.68 56.85 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.455 0.645 . . . . 0.0 109.639 176.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' B' ' 50' ' ' GLN . 38.4 mmtm -71.01 -11.05 60.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.201 174.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 75.7 mtm -115.07 -63.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.593 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.63 -177.04 25.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.177 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.12 -21.83 35.91 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.779 2.32 . . . . 0.0 112.501 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -130.78 72.67 81.75 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.247 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.476 ' HD2' ' HG3' ' B' ' 12' ' ' PRO . 36.0 Cg_exo -62.14 153.94 66.05 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.97 2.447 . . . . 0.0 113.386 -178.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.896 ' HG2' ' HG3' ' B' ' 62' ' ' ARG . 36.1 Cg_endo -67.01 126.79 15.74 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.935 2.423 . . . . 0.0 110.767 175.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . 0.477 ' HG2' HD12 ' B' ' 63' ' ' LEU . 19.7 mt-30 -69.68 -17.57 63.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -171.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . 0.811 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 32.0 p80 -70.14 -34.07 72.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.749 173.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.896 ' HG3' ' HG2' ' B' ' 59' ' ' PRO . 6.3 mmm-85 -72.31 -28.38 63.05 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 174.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.477 HD12 ' HG2' ' B' ' 60' ' ' GLN . 94.2 mt -71.26 -33.75 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.848 176.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.811 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 19.9 ptt180 -65.92 -35.74 81.46 Favored 'General case' 0 C--O 1.227 -0.113 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 177.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.11 -35.58 66.59 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.759 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.435 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 91.4 mmm -66.98 -31.51 72.12 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 176.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -55.04 -55.74 27.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.404 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.453 HG22 ' HB1' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -61.6 -37.28 83.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.973 179.437 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.497 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -59.97 -58.4 8.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.184 179.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 21.8 ttt -57.91 -46.34 85.11 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.929 0.395 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.96 97.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.226 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.468 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -68.41 -33.45 74.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.386 -178.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 45.0 mt-10 -64.73 -49.0 72.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.517 0.199 . . . . 0.0 110.7 178.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.473 HG23 ' SD ' ' B' ' 43' ' ' MET . 47.7 t -59.02 -46.28 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.061 0.457 . . . . 0.0 110.586 175.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.23 98.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.911 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.674 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 18.1 tp10 -57.66 -49.27 77.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.89 176.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.549 HG21 ' HG3' ' B' ' 40' ' ' MET . 57.7 t -53.73 -55.4 13.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.813 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.461 ' HB ' HG21 ' B' ' 120' ' ' VAL . 54.7 t -63.87 -39.16 84.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.454 -177.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.78 -11.43 60.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -176.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 18.8 m -92.76 -11.63 33.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.009 0.433 . . . . 0.0 110.753 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 93.9 p -66.65 147.01 99.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.37 146.68 24.0 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.626 2.217 . . . . 0.0 111.829 177.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.96 -7.27 12.91 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.677 2.251 . . . . 0.0 112.42 -175.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -91.61 -15.63 28.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.908 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 10.8 p -125.45 0.87 7.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.603 -175.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -54.95 -47.46 74.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.342 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 2.0 p -64.67 -41.26 96.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.474 -177.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.2 86.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.871 0.367 . . . . 0.0 111.216 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' VAL . . . . . 0.442 HG22 HG12 ' B' ' 31' ' ' VAL . 61.4 t -66.3 -45.49 89.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.331 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 tt -59.01 -45.2 91.26 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.832 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -59.25 -45.26 91.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.089 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.1 m -62.48 -51.93 65.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.77 -176.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.3 mm -62.97 -47.56 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.872 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.7 -45.27 90.94 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.861 -177.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.06 -31.37 67.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.886 0.374 . . . . 0.0 110.789 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' CYS . . . . . 0.411 ' SG ' HD23 ' B' ' 22' ' ' LEU . 53.4 t -72.04 -35.17 69.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.918 -179.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 1.044 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 4.2 mp -56.41 -40.99 75.6 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.709 0.29 . . . . 0.0 111.429 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -62.93 -47.22 84.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.164 0.506 . . . . 0.0 109.982 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -67.54 -49.56 62.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.255 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 68.8 m -52.27 -36.56 53.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.14 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.42 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 14.6 mmt -69.62 -41.62 75.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.712 0.292 . . . . 0.0 110.907 178.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 49.4 tpp -64.52 -36.36 83.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.072 0.463 . . . . 0.0 110.55 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -80.38 -18.04 50.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.127 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.82 -59.58 2.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.351 -177.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' THR . . . . . 0.493 HG22 ' HB1' ' B' ' 14' ' ' ALA . 68.0 p -100.83 -43.27 6.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.015 0.436 . . . . 0.0 111.29 -175.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 117.34 -6.98 16.49 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -173.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.6 m -134.43 134.51 41.68 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' VAL . . . . . 0.42 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 87.0 t -77.44 107.42 8.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.036 0.446 . . . . 0.0 111.116 -177.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -66.13 107.77 2.04 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.55 174.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -80.55 -26.89 37.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.752 -178.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.29 -45.9 85.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.632 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' PHE . . . . . 0.481 ' O ' HG23 ' B' ' 116' ' ' VAL . 84.5 t80 -69.42 -50.81 42.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.198 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . 0.669 ' HA ' HD23 ' B' ' 97' ' ' LEU . 16.7 m -55.54 -43.43 75.78 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.421 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . 0.449 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 45.7 t30 -64.71 -47.04 79.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.741 178.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.07 -43.46 98.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 -175.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 112' ' ' PHE . 87.6 t -60.24 -39.62 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.891 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 28.9 mmt -66.5 -40.65 89.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.113 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 70.0 mt-30 -64.17 -45.34 88.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.293 177.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' B' ' 123' ' ' LEU . 33.3 mt -57.35 -53.1 61.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.367 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' VAL . . . . . 0.461 HG21 ' HB ' ' B' ' 78' ' ' VAL . 14.8 p -66.39 -33.2 61.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.841 0.353 . . . . 0.0 111.817 -174.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -76.52 -36.53 57.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.679 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' MET . . . . . 0.401 ' HE3' ' HB3' ' B' ' 122' ' ' MET . 11.8 tmm? -68.44 -39.24 81.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.868 0.366 . . . . 0.0 111.042 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 119' ' ' LEU . 95.1 mt -69.22 -8.98 50.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 6.2 t -128.5 21.75 6.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.505 0.669 . . . . 0.0 109.366 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.829 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.916 -174.194 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.909 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -67.35 103.86 1.38 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.722 0.296 . . . . 0.0 110.423 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.07 -148.19 50.31 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.291 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -97.24 173.54 7.17 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 m -141.26 122.23 14.56 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.036 0.446 . . . . 0.0 110.833 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -81.28 117.63 68.97 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.426 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.441 ' HA ' ' OD2' ' A' ' 109' ' ' ASP . 51.4 Cg_exo -53.98 122.34 11.23 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.78 2.32 . . . . 0.0 111.873 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.685 ' HB ' HG21 ' A' ' 105' ' ' THR . 2.8 pp -73.37 3.39 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.093 -176.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.402 ' CZ2' ' HA ' ' A' ' 67' ' ' ASN . 42.5 m95 -77.38 18.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.543 178.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.3 p -70.9 -23.01 62.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.348 0.594 . . . . 0.0 109.725 172.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -125.78 115.87 24.54 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.37 172.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -65.8 -30.46 49.69 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.863 2.375 . . . . 0.0 112.373 -175.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -76.92 -33.4 57.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.753 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.88 -42.52 90.21 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 176.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.41 90.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.735 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.6 ttm -61.63 -27.66 68.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.201 0.524 . . . . 0.0 110.713 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 48.6 m -64.08 -36.39 83.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.197 177.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.6 ttt -66.57 -41.02 89.21 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -41.24 85.82 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.253 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -69.21 -46.68 66.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.888 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -63.35 -35.51 80.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.421 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.637 HD21 HD12 ' A' ' 97' ' ' LEU . 29.8 mt -60.03 -48.61 81.0 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.603 0.24 . . . . 0.0 110.864 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.23 -41.7 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.681 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -64.48 -44.46 90.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.937 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 27.6 t -65.37 -38.95 91.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.01 0.433 . . . . 0.0 110.579 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -69.12 -38.77 79.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.057 0.456 . . . . 0.0 110.783 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.1 t -68.46 -37.6 80.33 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.912 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 25' ' ' CYS . 7.5 ptm180 -80.06 -19.53 47.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.933 -177.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.423 ' HB2' HG23 ' A' ' 31' ' ' VAL . 14.1 p -84.69 -46.28 11.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.966 0.413 . . . . 0.0 109.923 174.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.33 21.63 72.53 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.715 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.423 HG23 ' HB2' ' A' ' 29' ' ' SER . 14.1 t -79.74 -26.94 12.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.337 0.589 . . . . 0.0 110.179 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.425 HD13 ' HB1' ' A' ' 26' ' ' ALA . 5.7 mp -90.64 152.68 20.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.794 -175.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.4 ' OG1' ' HG3' ' A' ' 36' ' ' GLN . 48.2 p -83.17 169.69 15.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.519 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.72 78.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.718 0.294 . . . . 0.0 111.042 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 1.051 ' HB3' HH22 ' B' ' 64' ' ' ARG . 2.9 m-20 -52.79 -60.72 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.716 175.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.791 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . 8.1 mt-30 -66.61 -36.91 83.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.962 -173.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.5 mmm -63.79 -45.2 90.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.296 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -71.34 -33.18 69.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.805 -176.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 42' ' ' MET . 69.0 m-20 -66.08 -40.78 91.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.959 0.409 . . . . 0.0 110.385 176.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.524 ' O ' ' HB3' ' A' ' 43' ' ' MET . 83.3 mtp -66.59 -34.88 78.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.075 0.464 . . . . 0.0 110.339 174.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.94 -44.85 97.25 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.058 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.527 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -74.99 -18.07 60.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.882 0.372 . . . . 0.0 110.241 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.524 ' HB3' ' O ' ' A' ' 40' ' ' MET . 43.1 ttp -63.41 -43.82 96.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.121 0.486 . . . . 0.0 109.729 172.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.48 97.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.3 175.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.78 -44.23 93.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.027 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.0 p -59.81 -48.77 80.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.041 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.8 t -61.28 -43.77 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.166 0.507 . . . . 0.0 110.174 176.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 23.0 t-20 -57.0 -51.3 69.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.456 -178.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.6 p -77.51 -31.63 53.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.513 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.637 HE22 ' HB3' ' B' ' 46' ' ' SER . 3.9 tp-100 -62.85 -41.14 99.24 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 176.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.4 ttp -59.14 -45.46 90.89 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.553 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 69.6 mt-30 -59.53 -37.59 78.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.088 0.471 . . . . 0.0 110.744 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -68.39 -24.71 64.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.711 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.556 ' CB ' ' HB3' ' A' ' 58' ' ' PRO . 70.9 mtm -105.33 -6.9 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.447 -175.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.62 178.66 35.22 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.561 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.41 -11.17 29.55 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.789 2.326 . . . . 0.0 112.433 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -146.01 78.23 11.6 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.999 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.556 ' HB3' ' CB ' ' A' ' 54' ' ' MET . 35.6 Cg_endo -64.72 167.14 16.07 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.192 2.594 . . . . 0.0 113.356 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HG2' ' HD2' ' A' ' 62' ' ' ARG . 52.4 Cg_exo -51.64 131.56 37.83 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.991 2.461 . . . . 0.0 112.087 175.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -59.21 -39.49 82.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.351 -176.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.601 ' HB2' ' NH2' ' A' ' 64' ' ' ARG . 20.9 p80 -68.3 -26.6 65.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 0.0 111.005 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 66' ' ' MET . 77.1 mtt180 -73.09 -36.14 66.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.246 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.416 HD21 ' HG2' ' A' ' 58' ' ' PRO . 98.8 mt -63.33 -37.49 87.46 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 174.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.918 HH22 ' HB3' ' B' ' 35' ' ' ASP . 44.6 ttp180 -55.14 -47.39 75.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.754 174.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.62 72.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.173 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 95.9 mmm -57.02 -30.19 63.99 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.76 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.402 ' HA ' ' CZ2' ' A' ' 9' ' ' TRP . 5.4 t30 -51.61 -51.99 51.16 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.073 0.463 . . . . 0.0 111.03 176.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.9 m -75.69 -29.42 59.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.935 -175.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.582 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -61.51 -52.49 64.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.931 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.0 ttt -57.77 -44.69 86.35 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.981 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.26 92.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.185 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.418 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -64.6 -40.36 95.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.361 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 69' ' ' ALA . 6.9 mm-40 -62.12 -45.26 94.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.74 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.563 ' O ' HG23 ' A' ' 78' ' ' VAL . 54.5 t -63.87 -42.19 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.696 177.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.24 88.86 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.451 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.465 ' OE1' ' HA ' ' B' ' 65' ' ' ALA . 23.0 tt0 -64.22 -50.11 69.29 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.909 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.791 ' HB ' ' HB3' ' A' ' 36' ' ' GLN . 35.7 m -60.21 -38.72 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.867 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 74' ' ' VAL . 67.9 t -63.81 -40.54 89.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.099 0.476 . . . . 0.0 110.261 177.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HB1' ' HB2' ' A' ' 124' ' ' SER . . . -78.89 -3.57 45.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.735 -176.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 80' ' ' THR . 24.2 m -102.19 5.61 40.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.705 0.764 . . . . 0.0 110.201 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.1 m -77.62 159.2 77.4 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.028 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -53.57 160.26 5.51 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.813 2.342 . . . . 0.0 111.339 173.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.58 -22.57 58.19 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.159 1.906 . . . . 0.0 112.17 -170.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -96.58 -23.56 16.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.272 0.558 . . . . 0.0 110.737 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.7 m -92.34 -16.99 25.3 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.884 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -54.57 -49.63 69.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.982 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.7 t -64.18 -34.59 78.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.549 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.83 -53.92 27.72 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.018 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.432 HG12 HG22 ' A' ' 78' ' ' VAL . 85.9 t -63.0 -40.72 90.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.767 -178.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -56.93 -52.16 66.28 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.413 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -58.84 -38.58 79.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.933 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 38.1 m -65.65 -51.79 56.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.616 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.501 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.1 mm -61.27 -43.31 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.1 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.4 -38.4 93.39 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.241 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.518 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -68.44 -49.2 61.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.725 0.298 . . . . 0.0 110.368 176.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 75.9 m -61.74 -32.63 72.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.495 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.637 HD12 HD21 ' A' ' 22' ' ' LEU . 1.1 mp -54.21 -54.31 41.71 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.938 0.399 . . . . 0.0 111.106 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.3 ttt-85 -59.11 -51.46 69.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.003 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 9.8 mm-40 -60.2 -44.66 94.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.783 -177.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.5 m -55.54 -46.38 77.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.196 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.447 ' SD ' HG12 ' A' ' 8' ' ' ILE . 16.8 mmt -62.94 -44.75 95.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.1 ttm -65.32 -31.81 73.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.599 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -89.55 -11.98 41.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.824 0.345 . . . . 0.0 111.377 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.5 -58.1 2.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.848 0.356 . . . . 0.0 111.242 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.685 HG21 ' HB ' ' A' ' 8' ' ' ILE . 71.9 p -103.31 -25.58 13.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.28 -175.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 103.32 -7.77 51.78 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.744 -177.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.0 m -134.47 159.18 41.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.8 t -93.33 106.26 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.844 0.354 . . . . 0.0 110.673 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.441 ' OD2' ' HA ' ' A' ' 7' ' ' PRO . 9.4 t70 -69.76 112.93 6.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.893 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -77.91 -30.97 50.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.02 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.87 75.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 -175.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.441 ' O ' HG23 ' A' ' 116' ' ' VAL . 50.8 t80 -72.76 -44.46 61.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.449 -178.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.592 ' HA ' HD23 ' A' ' 97' ' ' LEU . 49.3 m -63.9 -36.35 83.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 110.72 -176.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -73.09 -40.08 65.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.5 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -58.08 -45.36 87.3 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.77 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 112' ' ' PHE . 57.3 t -60.6 -38.63 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.411 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.7 mmt -68.93 -39.89 79.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.146 0.498 . . . . 0.0 110.219 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -70.01 -41.56 74.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.367 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.623 HD23 ' HE1' ' B' ' 122' ' ' MET . 20.4 mt -59.12 -50.93 72.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.271 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.7 p -67.17 -36.14 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -172.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -68.0 -40.12 83.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.979 0.418 . . . . 0.0 110.576 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -74.07 -38.07 64.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.796 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -60.71 -29.31 69.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.756 -175.485 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.448 ' HB2' ' HB1' ' A' ' 79' ' ' ALA . 7.3 t -102.9 4.43 37.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.912 0.387 . . . . 0.0 110.764 -177.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -105.87 85.97 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.256 0.55 . . . . 0.0 111.253 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -97.08 83.74 3.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.313 0.578 . . . . 0.0 110.42 177.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.5 m -155.71 105.47 2.41 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.257 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -99.47 6.73 45.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.321 -175.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -118.46 158.78 24.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.753 0.311 . . . . 0.0 110.468 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -67.23 109.61 3.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.766 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.8 m -85.61 -20.75 7.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.8 m -80.53 157.1 26.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.976 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 120.913 0.387 . . . . 0.0 111.003 178.244 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 111.944 -0.462 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -85.79 100.26 11.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.791 0.329 . . . . 0.0 110.794 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.76 -121.46 5.43 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.211 178.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -126.69 142.4 51.55 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.458 ' O ' ' HD3' ' B' ' 7' ' ' PRO . 19.8 m -80.05 129.96 34.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 176.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -98.96 107.31 43.08 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.929 -176.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' B' ' 5' ' ' SER . 13.3 Cg_exo -69.43 126.95 14.16 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.702 2.268 . . . . 0.0 111.144 177.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.443 ' CG2' HG21 ' B' ' 105' ' ' THR . 17.0 pt -77.16 2.61 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.637 -175.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -75.07 84.15 2.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.793 0.806 . . . . 0.0 111.261 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.2 t -154.67 -36.53 0.09 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.283 -1.326 . . . . 0.0 108.173 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -100.89 114.01 65.78 Favored Pre-proline 0 N--CA 1.452 -0.35 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 169.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . 0.503 ' HB2' ' SD ' ' B' ' 51' ' ' MET . 27.2 Cg_endo -67.88 -32.92 28.01 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.665 2.243 . . . . 0.0 112.384 -173.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -70.31 -41.8 72.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.992 0.425 . . . . 0.0 110.519 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.44 89.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.697 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.47 96.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.71 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.8 ttm -62.36 -28.26 69.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.891 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 32.2 m -61.35 -39.26 89.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.15 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.629 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 6.6 ttt -64.75 -42.44 95.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.976 177.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -59.6 -45.28 92.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.63 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -65.54 -44.9 85.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.833 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -63.62 -32.27 73.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.529 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.29 -47.48 85.77 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 120.65 0.262 . . . . 0.0 110.886 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.51 -39.52 85.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.49 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.535 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 46.0 mt-30 -66.05 -41.0 91.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 30.3 t -64.95 -42.12 94.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.482 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.63 80.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.284 0.564 . . . . 0.0 111.031 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 37.6 t -70.85 -29.54 65.69 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.185 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 2.2 ptp180 -98.11 6.67 47.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.639 0.257 . . . . 0.0 111.677 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.411 ' HB2' HG23 ' B' ' 31' ' ' VAL . 18.4 p -104.9 -44.38 4.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.975 0.417 . . . . 0.0 110.071 173.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.94 15.42 81.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.854 175.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.411 HG23 ' HB2' ' B' ' 29' ' ' SER . 10.7 t -79.87 -24.45 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.466 0.65 . . . . 0.0 109.774 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.578 HD23 ' HB3' ' B' ' 36' ' ' GLN . 5.3 mp -90.2 166.76 13.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.841 -174.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 23.1 p -108.08 178.08 4.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.95 -41.46 74.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.591 0.234 . . . . 0.0 110.703 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.918 ' HB3' HH22 ' A' ' 64' ' ' ARG . 4.6 m-20 -47.08 -63.37 1.05 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.684 0.754 . . . . 0.0 110.211 172.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.578 ' HB3' HD23 ' B' ' 32' ' ' LEU . 51.2 mt-30 -63.25 -46.44 86.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.277 -1.329 . . . . 0.0 112.05 -173.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 85.0 mmm -65.03 -34.02 77.43 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -176.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.455 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 37.1 t70 -81.1 -35.59 31.44 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.856 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -66.39 -43.92 84.49 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.977 0.418 . . . . 0.0 110.125 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.588 ' HG3' HG21 ' B' ' 77' ' ' VAL . 88.2 mtp -66.76 -32.5 73.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.029 0.442 . . . . 0.0 110.223 174.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.18 -47.14 91.86 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.883 176.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.425 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 18.5 ptt? -74.15 -15.72 61.02 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.459 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . 0.502 ' O ' HG23 ' B' ' 47' ' ' VAL . 51.3 ttp -64.83 -50.93 64.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.067 0.46 . . . . 0.0 110.056 173.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.74 85.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.352 0.596 . . . . 0.0 110.233 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.425 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 30.0 t70 -67.44 -42.84 82.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.659 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.637 ' HB3' HE22 ' A' ' 50' ' ' GLN . 9.0 p -62.57 -46.64 87.4 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.228 -0.189 . . . . 0.0 110.999 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 43' ' ' MET . 43.0 t -55.5 -44.48 76.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.111 0.481 . . . . 0.0 110.281 177.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -66.39 -51.7 54.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.952 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.564 ' O ' ' HG2' ' B' ' 52' ' ' GLN . 28.9 p -70.41 -25.64 63.32 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -76.72 -32.97 58.18 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.1 175.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . 0.503 ' SD ' ' HB2' ' B' ' 12' ' ' PRO . 45.3 mtp -67.73 -42.74 81.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.008 177.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' B' ' 49' ' ' SER . 11.9 pt20 -66.4 -21.53 66.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.745 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' B' ' 49' ' ' SER . 48.8 mtpt -76.58 -24.05 53.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 175.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . 0.556 ' SD ' ' HD2' ' B' ' 62' ' ' ARG . 74.1 mtm -98.88 -55.13 2.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.09 -175.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 139.28 -172.6 23.14 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.091 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -72.93 -9.59 23.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.967 2.445 . . . . 0.0 112.598 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -146.13 87.94 6.48 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.226 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.42 167.78 17.01 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.97 2.447 . . . . 0.0 112.2 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -67.24 129.84 21.31 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.361 2.041 . . . . 0.0 111.2 174.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -61.12 -30.53 70.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.967 -173.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.563 ' O ' ' HB3' ' B' ' 64' ' ' ARG . 35.0 p80 -61.68 -30.69 70.9 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.414 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.557 ' O ' ' HG2' ' B' ' 66' ' ' MET . 71.4 mtt180 -69.85 -40.05 76.02 Favored 'General case' 0 CA--C 1.522 -0.106 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.223 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.65 -35.03 79.69 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 1.051 HH22 ' HB3' ' A' ' 35' ' ' ASP . 54.8 ttp180 -53.44 -50.9 64.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.104 172.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.465 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -68.75 -22.58 64.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.725 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 93.3 mmm -72.51 -29.05 63.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.611 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' B' ' 64' ' ' ARG . 11.1 t-20 -50.78 -59.47 4.06 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.547 0.53 . . . . 0.0 111.466 177.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.418 HG22 ' HB1' ' A' ' 72' ' ' ALA . 25.3 m -73.7 -27.44 61.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.2 -175.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.39 -54.43 45.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.957 0.408 . . . . 0.0 110.563 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.1 ttt -59.61 -44.49 93.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.06 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.69 88.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.304 -177.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.56 83.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.285 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -60.36 -50.08 75.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.242 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.443 ' O ' HG23 ' B' ' 78' ' ' VAL . 55.7 t -59.17 -41.64 84.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.937 0.398 . . . . 0.0 110.698 178.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.39 91.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.226 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -61.21 -43.21 99.24 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.588 HG21 ' HG3' ' B' ' 40' ' ' MET . 5.7 t -53.28 -57.76 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.054 177.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 74' ' ' VAL . 66.4 t -61.3 -39.86 84.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.456 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.19 -4.97 36.23 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 25.6 m -88.03 -12.72 43.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.301 0.572 . . . . 0.0 110.672 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 40.4 m -70.28 156.33 92.03 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.139 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . 0.638 ' HD2' ' HB2' ' B' ' 85' ' ' SER . 24.5 Cg_exo -64.49 163.06 28.3 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.672 2.248 . . . . 0.0 109.99 172.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -55.56 -43.28 59.51 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.345 2.03 . . . . 0.0 112.166 -173.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -69.82 -31.63 69.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.474 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.638 ' HB2' ' HD2' ' B' ' 82' ' ' PRO . 19.2 m -87.11 -27.41 23.12 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.639 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -53.36 -51.09 63.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.545 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 36.5 t -61.28 -40.77 95.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.873 0.368 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.71 -46.93 70.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.288 -178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.39 -42.68 96.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.979 0.419 . . . . 0.0 110.271 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.82 -51.38 70.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.365 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -55.99 -45.8 78.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.771 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 88.4 m -61.7 -55.77 26.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.848 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -60.24 -41.69 87.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.117 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.78 -31.94 65.02 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.245 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.81 -39.73 21.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.735 0.303 . . . . 0.0 110.65 176.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 92.9 m -58.38 -39.21 79.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.213 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.681 HD23 ' HA ' ' B' ' 113' ' ' THR . 6.9 mp -59.5 -45.72 90.9 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.732 0.301 . . . . 0.0 110.929 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -58.34 -52.62 64.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.698 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.7 -48.2 81.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.433 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.1 m -55.26 -38.55 68.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.358 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 11.9 mmt -64.43 -43.76 93.34 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.043 0.449 . . . . 0.0 110.87 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 22.0 ttm -68.78 -29.13 67.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.206 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -84.47 -24.93 29.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.847 0.356 . . . . 0.0 111.051 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.32 -56.62 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.312 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.443 HG21 ' CG2' ' B' ' 8' ' ' ILE . 81.3 p -107.29 -36.5 6.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.154 0.502 . . . . 0.0 111.239 -175.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 118.65 -13.79 11.79 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.528 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 22.0 m -128.84 154.24 46.65 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 61.7 t -92.83 117.75 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.016 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -88.38 132.55 34.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.091 172.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -96.2 -19.74 19.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.553 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.72 -50.49 70.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.922 0.391 . . . . 0.0 110.801 -176.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -69.8 -49.1 56.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.286 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.681 ' HA ' HD23 ' B' ' 97' ' ' LEU . 24.4 m -55.18 -43.44 74.34 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.836 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -66.08 -42.4 89.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.691 0.282 . . . . 0.0 110.892 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.08 -45.47 83.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.522 HG21 HD21 ' B' ' 97' ' ' LEU . 60.9 t -62.84 -33.59 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.255 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' B' ' 113' ' ' THR . 26.2 mmt -68.62 -43.4 76.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.316 0.579 . . . . 0.0 109.846 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -67.87 -36.24 79.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.486 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' B' ' 116' ' ' VAL . 31.0 mt -62.12 -54.14 45.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.015 177.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 13.6 p -65.98 -34.75 72.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.653 -173.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . 0.418 ' HE3' ' HB3' ' B' ' 121' ' ' LYS . 28.4 mtpp -66.28 -40.39 90.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.95 0.405 . . . . 0.0 110.367 176.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.623 ' HE1' HD23 ' A' ' 119' ' ' LEU . 41.7 ttp -67.01 -40.22 87.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.006 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.35 -20.07 65.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.286 0.565 . . . . 0.0 111.208 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 33.7 m -105.1 10.7 33.84 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.776 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -116.6 91.33 3.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.248 0.547 . . . . 0.0 111.218 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -85.29 78.51 9.77 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.516 0.674 . . . . 0.0 109.701 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 36.9 m -150.47 117.05 5.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.33 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -95.83 -0.65 50.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.31 0.576 . . . . 0.0 110.642 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -140.99 147.72 39.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.505 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -64.92 96.2 0.18 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.02 0.438 . . . . 0.0 110.513 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 8.6 m -85.21 67.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.773 0.797 . . . . 0.0 110.539 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 48.3 t -140.88 92.42 2.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.893 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 28.0 m . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.796 -0.621 . . . . 0.0 109.817 179.056 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.008 0 N-CA-C 111.819 -0.512 . . . . 0.0 111.819 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m -90.75 142.16 28.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.639 0.257 . . . . 0.0 110.698 -176.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.38 64.75 4.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.51 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -91.86 -14.02 30.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.071 0.463 . . . . 0.0 110.559 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.2 m -154.34 126.43 7.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.926 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 66.44 163.26 0.13 Allowed Pre-proline 0 CA--C 1.532 0.271 0 O-C-N 123.912 0.758 . . . . 0.0 111.588 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.84 162.71 15.22 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.269 1.979 . . . . 0.0 111.613 174.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.477 ' CG2' HG21 ' A' ' 105' ' ' THR . 9.2 pt -72.05 -0.92 2.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -175.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -74.76 3.79 7.43 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.248 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.5 m -60.17 -27.57 67.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.342 0.592 . . . . 0.0 109.826 171.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -128.02 115.39 20.41 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 170.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -65.17 -29.84 55.57 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.881 2.388 . . . . 0.0 112.63 -171.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -72.4 -39.13 68.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.781 0.324 . . . . 0.0 110.577 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.87 -42.88 84.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.239 0.542 . . . . 0.0 110.179 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' HA ' ' CD1' ' A' ' 8' ' ' ILE . . . -64.15 -41.07 97.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.635 176.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.543 ' HE2' HG12 ' A' ' 47' ' ' VAL . 48.3 ttm -62.81 -24.8 67.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.553 177.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.8 m -70.49 -34.35 72.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.089 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.933 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -65.41 -41.4 93.66 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -39.91 95.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.301 175.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -65.57 -48.41 72.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.625 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -62.54 -32.55 73.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.143 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 18' ' ' MET . 30.3 mt -61.54 -46.25 90.72 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.64 0.257 . . . . 0.0 110.673 176.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.71 -41.1 91.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.201 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.45 ' HB3' ' NH2' ' A' ' 28' ' ' ARG . 74.8 mt-30 -60.91 -47.95 84.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.021 0.439 . . . . 0.0 110.619 177.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.1 t -62.55 -39.16 92.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.692 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.18 -38.41 78.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.131 0.491 . . . . 0.0 111.206 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.9 t -67.77 -32.84 73.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.605 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.45 ' NH2' ' HB3' ' A' ' 24' ' ' GLN . 5.2 ptp180 -88.04 -20.58 25.58 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.561 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.5 p -80.27 -48.89 12.35 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.29 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.58 9.33 86.19 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.647 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 89' ' ' VAL . 11.1 p -75.51 -18.74 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.246 0.546 . . . . 0.0 110.029 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.529 HD23 ' HB3' ' A' ' 36' ' ' GLN . 5.4 mp -84.47 175.05 9.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.319 178.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.8 p -108.67 178.77 4.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.683 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.92 99.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.907 0.384 . . . . 0.0 110.258 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.43 -50.91 68.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.982 174.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.529 ' HB3' HD23 ' A' ' 32' ' ' LEU . 48.1 mt-30 -64.03 -46.25 85.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.001 -177.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 78.6 mmm -66.56 -41.45 88.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.68 -31.93 71.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.101 0.477 . . . . 0.0 110.426 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.425 ' OD1' ' HB2' ' B' ' 65' ' ' ALA . 2.7 t70 -70.98 -45.58 63.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.1 178.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 50.0 mmm -58.67 -41.33 85.9 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.349 175.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.38 -40.93 99.46 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.848 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -62.39 -39.83 94.5 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.58 0.229 . . . . 0.0 110.567 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.419 ' O ' HG23 ' A' ' 47' ' ' VAL . 39.6 ttp -55.19 -51.25 67.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.687 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.7 97.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.92 -45.37 90.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.316 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.8 t -58.34 -52.76 64.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.543 HG12 ' HE2' ' A' ' 16' ' ' MET . 53.6 t -56.16 -43.69 76.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-O 120.902 0.382 . . . . 0.0 110.655 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -63.69 -46.86 83.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.368 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.418 ' HA ' HE21 ' A' ' 52' ' ' GLN . 11.5 t -62.86 -44.8 95.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.651 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -62.02 -38.34 88.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 68.0 mmm -62.44 -44.07 97.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.903 176.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.418 HE21 ' HA ' ' A' ' 49' ' ' SER . 48.8 mt-30 -61.41 -33.08 73.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.793 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -78.23 -21.55 49.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.825 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.605 ' SD ' ' HD3' ' A' ' 62' ' ' ARG . 75.9 mtm -93.04 -43.14 9.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.749 0.309 . . . . 0.0 111.11 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.13 -147.11 18.44 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.591 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.84 132.64 17.32 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.766 2.311 . . . . 0.0 112.386 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 56.71 89.26 0.11 Allowed Pre-proline 0 N--CA 1.467 0.419 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.164 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -75.13 159.81 40.45 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.174 1.916 . . . . 0.0 111.409 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.478 ' HG2' ' CB ' ' A' ' 62' ' ' ARG . 12.7 Cg_endo -58.66 129.06 30.54 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.595 2.197 . . . . 0.0 111.85 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -59.23 -39.76 83.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.317 -175.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -67.41 -22.64 65.53 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.123 0.487 . . . . 0.0 110.356 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.605 ' HD3' ' SD ' ' A' ' 54' ' ' MET . 45.4 ttt180 -80.28 -28.82 38.27 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.18 -39.9 95.98 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.478 HH11 ' HG2' ' A' ' 64' ' ' ARG . 36.9 ttp85 -56.73 -44.02 81.22 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.106 172.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.434 ' HA ' ' OE2' ' B' ' 76' ' ' GLU . . . -65.76 -52.03 54.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.421 -0.808 . . . . 0.0 112.176 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.559 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 90.2 mmm -62.11 -31.04 71.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.396 -173.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -57.95 -45.83 86.04 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.214 0.531 . . . . 0.0 110.308 174.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 m -73.12 -39.15 65.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.734 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.72 -53.82 53.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.192 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.9 ttt -55.64 -41.28 73.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.148 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -47.41 82.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.28 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.68 -29.82 68.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.33 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.625 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 48.6 mt-10 -65.2 -50.71 64.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.747 178.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.56 -41.17 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.21 0.528 . . . . 0.0 110.458 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.0 95.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.509 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.625 ' HG3' ' O ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -71.19 -22.51 62.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.383 -179.055 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 73' ' ' GLU . 54.6 t -65.81 -56.35 15.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 171.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.403 ' HB ' HG21 ' A' ' 120' ' ' VAL . 55.8 t -63.66 -37.44 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.659 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.01 -0.29 15.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.402 ' O ' HG22 ' A' ' 80' ' ' THR . 11.1 m -118.75 21.3 12.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.858 0.837 . . . . 0.0 110.242 178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.6 p -86.88 159.5 51.67 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.841 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -53.04 143.22 51.2 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.483 2.122 . . . . 0.0 111.821 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.49 -12.68 36.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.566 2.177 . . . . 0.0 112.16 -173.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -96.67 -2.69 44.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.875 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.1 m -133.91 0.53 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.615 -176.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -53.76 -48.33 69.84 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.036 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 p -62.07 -39.74 93.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.178 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.15 -47.99 72.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.044 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.4 HG22 HG22 ' A' ' 31' ' ' VAL . 48.9 t -63.76 -43.14 97.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.952 0.406 . . . . 0.0 110.188 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.28 -51.35 70.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.412 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -57.6 -40.86 80.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.889 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.8 m -61.47 -57.51 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.46 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 93' ' ' ILE . 0.8 OUTLIER -58.84 -44.03 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.145 179.759 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.57 -35.06 71.3 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.564 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.22 -41.65 33.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.699 0.285 . . . . 0.0 110.559 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 79.7 m -58.03 -40.89 82.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.933 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 6.6 mp -56.93 -45.47 82.69 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.584 0.23 . . . . 0.0 111.486 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.401 HH11 ' HB3' ' A' ' 98' ' ' ARG . 1.9 ttp-105 -64.99 -44.56 88.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.167 -177.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 67.2 mm-40 -65.45 -49.46 69.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.823 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.6 m -54.7 -39.6 68.33 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.609 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.486 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 12.8 mmt -60.33 -45.85 91.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.785 0.326 . . . . 0.0 110.601 177.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 28.2 ttm -69.63 -33.39 72.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.324 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 13.0 mm100 -80.79 -16.91 52.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.775 0.322 . . . . 0.0 111.065 -178.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.66 -47.69 5.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.737 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.477 HG21 ' CG2' ' A' ' 8' ' ' ILE . 67.5 p -111.87 -20.92 11.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.908 0.385 . . . . 0.0 111.62 -174.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.22 3.04 70.16 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.1 p -142.67 153.98 43.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -177.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.486 ' HA ' ' HB3' ' A' ' 101' ' ' MET . 85.1 t -107.89 117.87 54.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.701 -176.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -87.95 125.57 34.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 170.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -96.76 -9.0 29.81 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.854 0.359 . . . . 0.0 110.533 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.3 -51.84 40.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.839 0.352 . . . . 0.0 110.271 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -65.95 -49.92 66.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.998 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.709 ' HA ' HD23 ' A' ' 97' ' ' LEU . 22.2 m -52.31 -46.26 65.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.481 -0.782 . . . . 0.0 112.033 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.474 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 52.4 t30 -67.86 -42.86 80.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.729 0.3 . . . . 0.0 110.625 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -57.07 -46.69 82.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.919 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.499 HG21 HD21 ' A' ' 97' ' ' LEU . 78.1 t -61.35 -35.05 63.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.996 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 13.8 mmt -69.92 -38.43 76.24 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 68.0 mm-40 -74.89 -34.61 62.21 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.346 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.06 -51.72 67.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.158 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.403 HG21 ' HB ' ' A' ' 78' ' ' VAL . 12.2 p -65.94 -34.62 71.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.348 -176.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -60.9 -54.45 44.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.098 0.475 . . . . 0.0 110.362 175.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.658 ' HE1' HD23 ' B' ' 119' ' ' LEU . 34.1 ttp -64.97 -42.87 94.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.712 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 49.9 tp -67.33 -30.78 70.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.507 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.1 t -95.14 1.87 54.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.301 0.572 . . . . 0.0 110.581 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -96.16 90.89 5.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.287 0.565 . . . . 0.0 110.71 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -97.73 132.79 43.04 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.991 175.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.0 t -130.84 141.03 50.3 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -119.48 42.53 2.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.873 0.368 . . . . 0.0 111.642 -174.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -79.78 107.78 12.83 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -77.38 109.01 10.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.481 0.658 . . . . 0.0 111.124 -175.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 29.4 m -95.05 -13.49 8.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.862 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.1 t -110.71 -165.6 1.01 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.521 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.507 179.755 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.192 -0.363 . . . . 0.0 112.192 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -71.24 114.29 9.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.875 0.369 . . . . 0.0 110.498 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.07 71.07 2.78 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.911 -0.662 . . . . 0.0 112.455 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -108.29 -60.66 1.7 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.852 -0.205 . . . . 0.0 110.796 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 54.9 m -145.15 95.11 2.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.703 0.287 . . . . 0.0 110.272 175.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.409 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 10.9 mm100 -155.15 142.42 13.78 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.118 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 6' ' ' GLN . 12.3 Cg_exo -70.74 129.25 16.26 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.24 1.96 . . . . 0.0 109.673 168.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.577 ' HB ' HG21 ' B' ' 105' ' ' THR . 1.1 pp -68.94 -14.95 19.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.93 0.395 . . . . 0.0 111.502 -174.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -81.58 88.1 6.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.439 0.638 . . . . 0.0 110.958 177.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.5 m -149.39 -50.79 0.15 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.537 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -89.64 117.21 67.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 171.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -66.48 -34.74 32.85 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.807 2.338 . . . . 0.0 112.609 -173.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -73.85 -34.89 64.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.835 0.35 . . . . 0.0 110.316 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.04 -48.27 71.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.11 93.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.637 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 50.8 ttm -59.78 -27.16 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.063 178.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.1 m -65.74 -41.08 92.63 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.229 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.449 ' HG3' ' SD ' ' B' ' 101' ' ' MET . 0.2 OUTLIER -62.66 -41.12 98.89 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.294 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -61.87 -42.68 99.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.811 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.425 ' O ' ' HG3' ' B' ' 24' ' ' GLN . 14.7 t-20 -73.17 -40.35 64.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.889 -176.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.18 -36.44 79.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.715 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.745 HD21 HD12 ' B' ' 97' ' ' LEU . 37.5 mt -58.47 -45.76 87.98 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.606 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.07 -36.27 77.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.466 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' B' ' 20' ' ' ASN . 69.7 mt-30 -63.78 -44.65 92.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.475 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 0.426 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 30.9 p -77.98 -37.0 48.33 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.865 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.17 91.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.062 0.458 . . . . 0.0 110.742 176.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -65.19 -27.99 69.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.796 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 18.5 ptp180 -103.94 -6.26 21.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -175.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 31.2 p -86.59 -39.18 16.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.944 0.402 . . . . 0.0 110.098 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.49 17.82 76.57 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.671 176.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.422 HG22 HG22 ' B' ' 89' ' ' VAL . 10.2 p -88.93 -13.99 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.352 0.596 . . . . 0.0 109.871 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' B' ' 36' ' ' GLN . 5.6 mp -94.96 159.18 15.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.85 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 44.5 p -96.67 -176.8 3.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.95 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.47 97.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.527 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -57.71 -51.27 70.22 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.53 ' HB3' HD23 ' B' ' 32' ' ' LEU . 79.7 mt-30 -60.85 -50.91 71.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.934 -178.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 83.3 mmm -67.07 -35.29 79.5 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -72.86 -31.1 64.5 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.15 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' B' ' 42' ' ' MET . 25.8 t0 -69.49 -50.24 47.17 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 175.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.497 ' HG2' HG21 ' B' ' 77' ' ' VAL . 55.2 mmm -57.17 -43.01 82.21 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.732 176.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.94 -45.37 92.59 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.096 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.548 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 20.3 ptt? -73.01 -21.98 60.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.648 0.261 . . . . 0.0 110.499 -179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . 0.518 ' O ' HG23 ' B' ' 47' ' ' VAL . 46.0 ttp -60.27 -57.68 11.77 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 173.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.2 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.185 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.548 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 20.9 t70 -56.88 -41.66 78.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.282 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.0 t -65.44 -48.18 73.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.283 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 43' ' ' MET . 24.3 t -57.18 -47.64 83.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 120.938 0.399 . . . . 0.0 110.003 178.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' B' ' 52' ' ' GLN . 4.5 m-20 -56.23 -51.19 69.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.609 175.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 22.3 t -59.55 -47.95 83.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.993 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -65.49 -36.75 84.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.987 -176.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 62.4 mmm -67.11 -40.81 86.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.919 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' B' ' 48' ' ' ASN . 48.8 mt-30 -69.3 -21.42 63.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.98 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -80.02 -34.71 38.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 75.0 mtm -86.05 -50.01 7.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 -177.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.2 -160.39 18.51 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.545 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.43 136.39 28.59 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.789 2.326 . . . . 0.0 112.551 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 63.91 73.21 0.48 Allowed Pre-proline 0 N--CA 1.467 0.401 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.969 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -85.04 172.05 8.86 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.833 2.355 . . . . 0.0 112.301 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.41 114.64 2.03 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.681 2.254 . . . . 0.0 111.691 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -63.56 -36.36 83.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -176.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.578 ' O ' ' HB3' ' B' ' 64' ' ' ARG . 0.2 OUTLIER -71.06 -23.94 62.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.133 0.492 . . . . 0.0 110.146 -178.755 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.539 ' O ' ' HG2' ' B' ' 66' ' ' MET . 26.0 ttm180 -74.22 -33.24 63.31 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.68 -36.29 83.36 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.578 ' HB3' ' O ' ' B' ' 61' ' ' HIS . 20.8 ttp85 -55.82 -46.01 78.19 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.444 173.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.553 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -67.88 -41.26 83.04 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.784 179.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.539 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 96.0 mmm -61.77 -27.1 68.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.04 -178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -53.96 -52.04 61.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.433 174.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.544 HG21 ' HB3' ' A' ' 76' ' ' GLU . 15.9 m -67.68 -37.55 82.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.071 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.49 -52.15 66.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 0.0 110.77 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.8 ttt -60.01 -45.54 92.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.95 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.05 99.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.533 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.82 -37.5 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.468 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.59 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . 16.4 mt-10 -62.52 -44.17 97.03 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.05 178.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.44 ' O ' HG23 ' B' ' 78' ' ' VAL . 71.6 t -60.45 -41.53 87.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.033 0.444 . . . . 0.0 110.483 177.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.23 -48.41 73.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.5 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.59 ' HG2' ' HA ' ' B' ' 73' ' ' GLU . 6.5 pt-20 -63.26 -33.57 75.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.49 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.51 HG13 ' HB3' ' B' ' 36' ' ' GLN . 20.6 t -59.11 -54.28 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.369 174.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 74' ' ' VAL . 68.7 t -60.87 -42.81 94.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.329 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.44 -25.71 66.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.214 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 23.0 m -87.94 75.5 8.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.522 0.677 . . . . 0.0 110.221 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.498 ' HB3' ' NE2' ' B' ' 36' ' ' GLN . 57.3 p -157.54 163.54 24.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.142 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.31 147.07 95.59 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.083 1.855 . . . . 0.0 110.826 172.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.21 -21.94 67.21 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.177 1.918 . . . . 0.0 111.935 -173.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -81.15 -16.34 53.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.223 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.417 ' O ' HG23 ' B' ' 89' ' ' VAL . 32.1 m -114.36 -21.12 10.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.232 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -49.62 -47.54 49.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.812 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 7.2 t -63.21 -31.96 73.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.669 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.51 -44.36 35.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.569 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.422 HG22 HG22 ' B' ' 31' ' ' VAL . 44.2 t -60.36 -43.7 94.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.167 0.508 . . . . 0.0 109.883 177.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -57.58 -51.64 68.65 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.53 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.53 -37.83 82.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.181 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 58.1 m -63.29 -53.12 57.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.392 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.2 mm -62.49 -42.68 96.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.385 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.85 -36.47 87.39 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.386 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.5 -44.92 56.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.932 0.396 . . . . 0.0 110.15 175.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' CYS . . . . . 0.458 ' HB3' HD23 ' B' ' 22' ' ' LEU . 23.1 m -54.99 -41.13 70.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.0 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.745 HD12 HD21 ' B' ' 22' ' ' LEU . 1.9 mp -52.96 -49.1 66.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 111.703 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.458 ' HD3' HH11 ' B' ' 98' ' ' ARG . 13.3 ttt-85 -60.37 -51.55 69.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.23 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.42 -44.77 86.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.133 -177.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 66.3 m -55.35 -42.7 74.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.214 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.449 ' SD ' ' HG3' ' B' ' 18' ' ' MET . 17.5 mmt -63.58 -43.75 96.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.83 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 26.8 ttm -65.74 -35.81 81.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.354 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -86.31 -4.17 59.12 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.803 0.335 . . . . 0.0 111.459 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.22 -59.92 1.62 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.966 0.412 . . . . 0.0 111.167 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.577 HG21 ' HB ' ' B' ' 8' ' ' ILE . 57.8 p -99.83 -23.23 15.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.145 0.498 . . . . 0.0 111.079 -175.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 100.57 6.84 52.38 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.774 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 38.5 p -152.07 156.63 40.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 60.9 t -91.76 114.37 28.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.814 0.34 . . . . 0.0 111.051 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -86.21 137.34 32.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.784 173.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -97.9 -29.22 13.45 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.008 -176.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.75 -50.61 73.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.749 0.309 . . . . 0.0 111.416 -177.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.442 ' O ' HG23 ' B' ' 116' ' ' VAL . 79.4 t80 -69.19 -49.03 60.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.074 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.616 ' HA ' HD23 ' B' ' 97' ' ' LEU . 32.8 m -56.78 -43.16 80.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.181 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . 0.585 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 9.5 t30 -64.87 -48.64 73.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.174 178.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.22 -42.69 95.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.1 -173.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.55 ' HA ' HD12 ' B' ' 119' ' ' LEU . 63.9 t -59.6 -38.4 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.95 0.405 . . . . 0.0 111.162 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 11.2 mmt -69.04 -39.8 78.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.123 0.487 . . . . 0.0 110.028 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' B' ' 114' ' ' ASN . 51.8 mm-40 -71.15 -35.23 71.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.21 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.658 HD23 ' HE1' ' A' ' 122' ' ' MET . 13.6 mt -58.32 -49.08 78.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.051 177.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . 0.439 HG21 ' HB ' ' B' ' 78' ' ' VAL . 15.0 p -72.12 -32.42 43.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.908 0.385 . . . . 0.0 111.259 -176.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -65.19 -43.73 90.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.482 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -69.23 -40.83 77.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.947 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 42.3 tp -66.42 -32.46 73.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.064 0.459 . . . . 0.0 110.791 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 35.7 t -92.1 6.21 47.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.79 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -96.03 100.43 12.1 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.911 0.386 . . . . 0.0 110.877 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -89.51 137.97 31.87 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 121.087 0.47 . . . . 0.0 110.003 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 15.7 t -136.06 123.3 21.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.359 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -104.1 26.48 8.73 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -171.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -61.38 104.84 0.44 Allowed 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 172.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -78.93 97.2 5.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.698 0.761 . . . . 0.0 112.239 -170.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 28.3 m -105.26 10.54 9.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.052 170.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 48.1 t -95.3 119.52 33.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.054 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.489 -0.767 . . . . 0.0 109.458 178.372 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -81.73 -8.78 59.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.656 0.265 . . . . 0.0 111.606 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.64 164.24 34.8 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.182 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' OD1' ' HB2' ' A' ' 107' ' ' SER . 4.9 m120 -125.15 134.88 52.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.921 0.391 . . . . 0.0 111.006 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 16.4 m -130.43 147.69 52.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.631 175.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.432 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 44.3 mt-30 69.48 141.66 0.08 OUTLIER Pre-proline 0 N--CA 1.466 0.344 0 O-C-N 123.789 0.681 . . . . 0.0 111.912 -176.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.495 ' HA ' ' OD2' ' A' ' 109' ' ' ASP . 17.2 Cg_exo -67.6 146.85 75.06 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.798 2.332 . . . . 0.0 112.424 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 pp -76.33 -6.7 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.378 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -70.15 89.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.685 0.755 . . . . 0.0 111.28 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.2 m -148.08 -44.46 0.16 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.784 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -101.12 120.72 54.37 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.797 173.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -71.81 -36.4 6.29 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.701 2.267 . . . . 0.0 112.606 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -67.94 -34.96 77.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.982 0.42 . . . . 0.0 110.586 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.57 -43.86 79.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.315 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.92 -35.64 80.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.698 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 50.3 ttm -61.2 -28.96 69.52 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.866 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.0 m -64.36 -39.99 94.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.815 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.448 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -63.66 -41.22 98.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.574 178.707 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -62.32 -45.53 92.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.662 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -68.8 -41.95 77.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.862 -178.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.423 ' HA ' HE21 ' A' ' 24' ' ' GLN . 8.6 m-20 -63.69 -34.0 76.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.39 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.72 HD21 HD12 ' A' ' 97' ' ' LEU . 23.8 mt -61.81 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.861 176.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.83 -44.49 99.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.879 0.371 . . . . 0.0 110.531 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.47 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 48.3 mt-30 -61.17 -43.41 98.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.105 0.478 . . . . 0.0 110.134 177.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 38.5 t -66.48 -38.4 87.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.258 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.8 -36.12 72.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.098 0.475 . . . . 0.0 110.62 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.8 t -66.57 -43.74 84.16 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.171 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.3 ptm180 -69.15 -39.15 78.99 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.236 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.514 ' HB2' HG23 ' A' ' 31' ' ' VAL . 28.0 p -67.71 -45.18 75.85 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.64 0.257 . . . . 0.0 110.58 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.84 6.56 85.55 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.799 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.514 HG23 ' HB2' ' A' ' 29' ' ' SER . 12.2 t -66.84 -29.23 45.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.478 0.656 . . . . 0.0 110.078 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.5 ' HB3' ' HB2' ' A' ' 36' ' ' GLN . 5.6 mp -90.78 149.36 22.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.141 -174.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.3 p -84.18 177.77 8.08 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.189 -177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.25 -30.96 71.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.483 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.17 -50.91 66.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.448 0.642 . . . . 0.0 109.433 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.62 ' HB3' HG13 ' A' ' 77' ' ' VAL . 49.0 mt-30 -65.09 -47.82 75.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.266 -178.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.08 -43.35 98.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.498 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.18 -37.13 86.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.439 . . . . 0.0 110.735 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.487 ' HB3' HG22 ' A' ' 77' ' ' VAL . 1.2 t70 -68.72 -44.53 73.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.336 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.436 ' O ' ' HB3' ' A' ' 43' ' ' MET . 93.7 mtp -61.82 -30.41 70.81 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.107 0.48 . . . . 0.0 110.378 176.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.85 -48.32 84.61 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.097 175.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.454 ' SD ' ' HD3' ' B' ' 62' ' ' ARG . 12.6 ptt? -73.37 -20.44 60.76 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.308 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.573 ' O ' HG23 ' A' ' 47' ' ' VAL . 48.7 ttp -59.99 -53.49 57.24 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -38.57 84.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.247 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -61.95 -45.93 91.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.251 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.0 p -62.32 -35.08 77.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.972 0.415 . . . . 0.0 111.192 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 43' ' ' MET . 28.3 t -65.72 -38.33 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.134 177.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -79.52 -40.18 30.24 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.089 -177.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.458 ' HB3' ' HE3' ' B' ' 53' ' ' LYS . 7.8 p -65.51 -28.0 68.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.625 ' HB3' ' HE2' ' A' ' 54' ' ' MET . 90.1 mt-30 -74.83 -29.45 61.07 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.255 173.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 93.1 mmm -70.31 -36.38 74.26 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.82 -178.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.411 ' HG2' ' HA ' ' A' ' 49' ' ' SER . 17.3 pt20 -72.07 -25.78 61.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.0 110.463 177.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -71.99 -53.31 13.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.096 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.625 ' HE2' ' HB3' ' A' ' 50' ' ' GLN . 55.9 mtm -89.93 -40.02 12.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.016 -171.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.2 -174.77 15.52 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -174.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.98 -1.81 11.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.814 2.342 . . . . 0.0 112.56 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -128.3 78.84 75.01 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.674 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.0 164.9 34.13 Favored 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 122.966 2.444 . . . . 0.0 112.114 171.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.554 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 36.5 Cg_endo -67.53 152.8 77.94 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.497 2.131 . . . . 0.0 111.744 175.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -58.12 -38.77 77.15 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.799 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.692 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 28.7 p80 -64.71 -25.1 67.79 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.781 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.554 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 2.9 tmt_? -69.91 -29.38 66.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 63' ' ' LEU . 4.1 mm? -68.9 -50.45 49.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.218 176.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.692 ' HG2' ' HA ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -65.66 -30.25 70.92 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.238 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.672 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -69.22 -52.64 25.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.318 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.497 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 98.0 mmm -64.98 -24.02 67.39 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.123 -176.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -55.04 -37.71 67.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.232 0.539 . . . . 0.0 109.97 172.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.597 HG22 ' HB1' ' B' ' 72' ' ' ALA . 8.0 m -89.84 -41.81 11.61 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.887 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.497 ' HB3' ' HA ' ' A' ' 66' ' ' MET . . . -57.61 -55.16 38.47 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -178.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.5 ttt -60.82 -41.32 95.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.998 0.427 . . . . 0.0 110.665 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.418 ' HB1' HG22 ' A' ' 116' ' ' VAL . . . -66.82 -43.65 83.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.26 -178.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.531 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -64.88 -35.86 82.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 77' ' ' VAL . 27.8 mm-40 -61.46 -50.88 70.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.717 175.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 78' ' ' VAL . 79.7 t -57.62 -43.02 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.348 . . . . 0.0 110.473 176.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.58 93.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 7.2 tp10 -59.49 -46.59 88.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.194 0.521 . . . . 0.0 110.061 176.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.62 HG13 ' HB3' ' A' ' 36' ' ' GLN . 54.5 t -56.48 -48.98 79.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.276 178.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 74' ' ' VAL . 91.1 t -65.38 -44.97 94.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.239 -178.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.76 -28.75 68.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.706 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 35.2 m -84.77 76.39 10.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.527 0.679 . . . . 0.0 110.633 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.8 p -160.8 170.45 8.46 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.029 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -58.36 138.62 86.82 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 121.863 1.708 . . . . 0.0 110.234 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.56 -16.32 54.58 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.112 1.875 . . . . 0.0 112.136 -172.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -88.56 -25.73 22.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.301 0.572 . . . . 0.0 110.63 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 89' ' ' VAL . 69.4 m -94.6 -15.18 24.28 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.332 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -51.81 -45.28 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.849 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -61.83 -42.34 98.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.259 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.04 77.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.022 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 85' ' ' SER . 59.1 t -63.42 -46.32 95.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.327 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.77 -49.83 75.29 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.186 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -56.49 -44.15 80.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.065 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.3 m -63.97 -52.78 58.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.879 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.438 HG23 HD13 ' A' ' 97' ' ' LEU . 1.3 mm -63.99 -47.51 90.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.774 178.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.58 -43.53 97.56 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.952 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.59 -35.78 70.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.837 0.351 . . . . 0.0 110.965 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.3 t -81.91 -20.19 39.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.555 -175.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.72 HD12 HD21 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -55.17 -44.26 75.04 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.425 0.631 . . . . 0.0 109.851 173.324 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.525 ' HG3' HG21 ' A' ' 108' ' ' VAL . 71.1 ttt-85 -61.77 -49.27 77.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.721 178.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 14.4 mm-40 -63.36 -49.17 74.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.715 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.2 m -55.03 -45.32 75.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.701 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.418 ' SD ' ' HG3' ' A' ' 18' ' ' MET . 11.8 mmt -60.63 -41.08 94.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.836 0.351 . . . . 0.0 110.859 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 31.3 ttm -70.15 -29.98 67.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.954 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 77.8 mm-40 -80.82 -28.53 36.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.017 0.436 . . . . 0.0 110.521 178.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.59 -50.32 10.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.802 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 44.0 p -109.29 -32.52 7.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 111.603 -175.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.51 -14.93 7.66 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.009 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.4 ' HB2' ' OD1' ' A' ' 4' ' ' ASN . 34.3 p -148.5 168.08 23.65 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.525 HG21 ' HG3' ' A' ' 98' ' ' ARG . 3.4 p -94.56 122.05 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.505 0.669 . . . . 0.0 112.122 -173.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.495 ' OD2' ' HA ' ' A' ' 7' ' ' PRO . 8.4 t70 -80.8 127.97 33.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.706 174.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -108.32 15.64 23.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.147 0.499 . . . . 0.0 110.756 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -96.5 -48.98 5.33 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.555 ' O ' HG23 ' A' ' 116' ' ' VAL . 88.3 t80 -70.53 -52.16 23.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.186 177.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.607 ' HA ' HD23 ' A' ' 97' ' ' LEU . 42.6 m -54.61 -42.65 71.4 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.304 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -69.33 -40.37 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.553 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -63.31 -42.44 99.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.813 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 112' ' ' PHE . 57.5 t -56.84 -38.14 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.278 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.1 mmt -69.56 -36.07 75.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.239 -175.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -76.18 -40.07 53.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.677 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.49 HD23 ' HE1' ' B' ' 122' ' ' MET . 14.7 mt -55.9 -45.24 78.71 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.002 178.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.0 p -74.22 -36.18 42.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.169 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.04 -44.02 98.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.983 0.421 . . . . 0.0 110.592 177.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.5 ttp -68.41 -36.71 79.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.917 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 36.7 tp -75.33 -22.0 57.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.001 0.429 . . . . 0.0 110.785 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.3 t -89.62 0.88 56.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -120.59 101.91 8.07 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.56 98.32 0.86 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.2 p -132.54 173.92 10.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.624 -171.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 68.95 19.47 8.19 Favored 'General case' 0 C--O 1.232 0.155 0 O-C-N 124.053 0.845 . . . . 0.0 111.348 -177.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -70.74 112.83 7.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.875 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.4 ' OE1' ' HA ' ' A' ' 130' ' ' GLU . 5.7 mm-40 -74.77 120.53 20.44 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.7 0.762 . . . . 0.0 110.725 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.5 t -87.25 -21.54 7.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 114.304 -1.316 . . . . 0.0 110.565 -174.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.1 m -132.74 140.79 48.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.947 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.779 179.891 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.343 -0.303 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.6 m -90.36 -3.06 57.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.873 0.368 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 97.94 -168.21 23.39 Favored Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 -177.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -175.0 131.23 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.362 0.601 . . . . 0.0 111.436 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 27.6 m -154.68 83.59 1.1 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.976 173.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -155.46 136.86 9.37 Favored Pre-proline 0 C--N 1.311 -1.073 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.087 -169.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -63.79 106.99 0.68 Allowed 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.116 1.877 . . . . 0.0 111.485 175.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -76.66 22.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.808 -177.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.529 ' HB3' ' HB3' ' B' ' 63' ' ' LEU . 79.5 m95 -90.24 17.41 7.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.48 -175.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.9 p -69.72 -31.59 69.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.378 0.609 . . . . 0.0 109.614 174.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -120.99 100.97 45.5 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.388 173.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . 0.424 ' HB3' HD11 ' B' ' 63' ' ' LEU . 32.6 Cg_endo -64.08 -32.85 63.6 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.351 2.701 . . . . 0.0 113.661 -168.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -71.52 -25.45 62.25 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.282 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.71 -35.09 45.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.429 . . . . 0.0 109.891 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.38 -36.71 83.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.868 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -62.26 -31.24 71.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.231 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 23.1 m -64.32 -36.46 84.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.203 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 1.036 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.9 -44.22 93.61 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.393 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -61.51 -43.47 98.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.714 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -65.9 -52.46 49.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.801 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -64.04 -27.78 69.34 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.41 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.579 HD11 HD12 ' B' ' 97' ' ' LEU . 13.5 tp -65.34 -34.24 77.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.228 0.537 . . . . 0.0 110.504 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.545 HG22 ' HB3' ' B' ' 40' ' ' MET . 58.7 t -76.72 -35.11 24.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.239 178.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -67.15 -40.8 86.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.964 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 0.473 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 28.7 p -70.84 -30.05 66.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.042 0.449 . . . . 0.0 110.512 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.89 -37.44 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.28 0.562 . . . . 0.0 110.615 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 22.6 t -71.95 -34.55 69.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.732 -178.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.473 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 3.1 ptm180 -74.5 -33.83 62.92 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.774 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.501 ' HB2' HG23 ' B' ' 31' ' ' VAL . 14.2 p -72.16 -50.89 24.2 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.972 0.415 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.13 16.64 76.15 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.626 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.501 HG23 ' HB2' ' B' ' 29' ' ' SER . 14.4 t -72.9 -30.17 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.498 0.666 . . . . 0.0 109.887 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.451 ' N ' HD12 ' B' ' 32' ' ' LEU . 4.6 mp -88.09 158.52 18.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.499 -176.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 44.0 p -87.65 173.07 9.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.144 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.64 -38.55 91.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.802 0.334 . . . . 0.0 111.056 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.4 ' OD2' ' HB3' ' A' ' 61' ' ' HIS . 29.4 t70 -58.99 -45.37 90.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.12 177.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.641 ' HB3' HG13 ' B' ' 77' ' ' VAL . 24.6 mt-30 -68.56 -44.98 73.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.878 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 78.5 mmm -61.12 -41.99 97.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.226 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -65.54 -34.15 77.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.621 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.474 ' O ' ' HG2' ' B' ' 42' ' ' MET . 4.0 t70 -62.99 -45.9 90.24 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.231 0.539 . . . . 0.0 110.36 177.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.545 ' HB3' HG22 ' B' ' 23' ' ' VAL . 86.3 mtp -63.59 -34.46 77.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.536 177.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.69 -45.17 93.6 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.156 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' B' ' 39' ' ' ASP . 22.0 ptt? -70.84 -23.61 62.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.826 0.346 . . . . 0.0 110.179 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . 0.48 ' HB3' ' O ' ' B' ' 40' ' ' MET . 52.5 ttp -60.34 -49.95 75.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.092 174.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.19 95.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -65.85 -42.05 90.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.711 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.5 p -60.01 -47.59 85.22 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.249 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 43' ' ' MET . 21.3 t -57.77 -44.26 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.406 0.622 . . . . 0.0 109.869 176.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.29 -45.6 90.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.782 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.519 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 24.0 m -68.87 -46.36 68.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.374 -177.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -59.78 -37.37 78.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.05 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 79.6 mmm -56.34 -48.47 76.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.501 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -70.64 -24.57 62.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.448 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' B' ' 49' ' ' SER . 3.0 mmmp? -67.53 -37.17 82.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.117 0.484 . . . . 0.0 110.297 177.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.4 mtm -94.92 -54.17 3.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.772 -173.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.04 -171.79 27.66 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.457 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.5 -40.13 50.05 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.984 2.456 . . . . 0.0 112.65 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -132.04 90.82 34.2 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.937 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.548 ' HG2' HD21 ' B' ' 63' ' ' LEU . 73.7 Cg_endo -75.78 163.44 33.63 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.732 2.288 . . . . 0.0 111.953 175.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.481 ' HG2' ' HD2' ' B' ' 62' ' ' ARG . 10.4 Cg_endo -55.66 122.49 11.84 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.753 2.302 . . . . 0.0 111.781 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.56 ' HA ' HD23 ' B' ' 63' ' ' LEU . 15.3 mm100 -58.15 -26.44 62.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.57 -172.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.514 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 3.8 p80 -65.08 -28.27 69.35 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.323 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.535 ' O ' ' HG2' ' B' ' 66' ' ' MET . 90.9 mtt180 -72.37 -27.09 62.16 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.56 HD23 ' HA ' ' B' ' 60' ' ' GLN . 3.8 mm? -70.93 -40.64 71.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.708 177.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 34.7 ptt180 -67.12 -28.33 68.06 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.129 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.479 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -72.96 -42.92 62.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.687 173.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.535 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 92.0 mmm -56.14 -30.67 62.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 177.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.442 ' HA ' ' CZ2' ' B' ' 9' ' ' TRP . 7.6 t30 -53.76 -45.38 70.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.43 174.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.531 HG22 ' HB1' ' A' ' 72' ' ' ALA . 24.5 m -73.69 -39.61 64.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.847 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.72 -52.9 63.13 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.34 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.7 ttt -59.22 -44.86 92.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.742 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.8 99.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.384 -178.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.597 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -67.44 -37.56 83.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.332 -178.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.48 ' O ' HG23 ' B' ' 77' ' ' VAL . 28.2 mm-40 -59.63 -49.73 76.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.76 176.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.506 ' O ' HG23 ' B' ' 78' ' ' VAL . 78.8 t -58.61 -44.36 89.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.679 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.79 -42.58 93.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.672 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 13.7 tp10 -61.72 -47.97 82.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.093 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.641 HG13 ' HB3' ' B' ' 36' ' ' GLN . 69.9 t -54.58 -47.08 72.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 178.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 74' ' ' VAL . 59.5 t -66.13 -45.49 90.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.694 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.5 -7.04 44.97 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 55.1 m -78.38 -30.35 47.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 110.942 178.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 73.3 p -71.63 152.97 93.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.056 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . 0.425 ' HB2' ' HG2' ' B' ' 84' ' ' GLN . 24.1 Cg_endo -64.36 160.61 38.23 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.474 2.116 . . . . 0.0 110.974 175.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -53.48 -34.29 71.38 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.569 2.18 . . . . 0.0 111.856 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.425 ' HG2' ' HB2' ' B' ' 82' ' ' PRO . 10.9 pt20 -62.55 -32.03 72.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.553 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 23.9 m -105.9 -26.38 11.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.994 -175.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -49.95 -48.95 51.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.13 -176.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -63.48 -44.93 92.96 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.823 0.344 . . . . 0.0 110.95 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.06 -42.93 83.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.072 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 74.1 t -63.06 -46.42 96.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.183 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -56.85 -48.47 78.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.202 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -59.58 -42.41 92.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.971 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -65.39 -48.9 71.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.616 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.2 mm -64.81 -48.98 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.767 177.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.27 -43.63 84.32 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.83 -177.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' B' ' 99' ' ' GLU . . . -70.65 -38.67 73.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.882 0.372 . . . . 0.0 110.699 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' CYS . . . . . 0.477 ' SG ' HD12 ' B' ' 22' ' ' LEU . 46.6 t -66.3 -32.55 74.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.863 -176.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 1.036 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 6.2 mp -58.46 -39.61 80.38 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.024 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.549 ' HG3' HG21 ' B' ' 108' ' ' VAL . 69.0 ttt-85 -61.95 -48.33 80.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.246 176.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' B' ' 103' ' ' GLN . 4.3 mm-40 -64.24 -50.37 68.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.679 -177.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 72.5 m -57.63 -40.33 78.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.308 -175.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 16.1 mmt -63.73 -39.85 95.32 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.528 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 25.7 ttm -70.74 -25.38 62.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.655 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' B' ' 99' ' ' GLU . 73.6 mm-40 -85.71 -23.25 27.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.881 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.4 -54.56 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.772 -175.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 77.3 p -100.11 -26.05 14.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.148 0.499 . . . . 0.0 110.651 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 101.7 5.19 51.51 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -174.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 25.7 p -150.53 144.65 25.46 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.549 HG21 ' HG3' ' B' ' 98' ' ' ARG . 5.1 p -90.7 129.21 41.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.065 0.46 . . . . 0.0 110.707 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -98.71 140.5 32.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.01 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -95.62 -20.24 19.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.753 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.16 71.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.599 0.238 . . . . 0.0 111.124 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -70.42 -49.12 52.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.338 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.664 ' HA ' HD23 ' B' ' 97' ' ' LEU . 11.3 m -54.58 -45.15 73.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.987 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -67.04 -40.34 87.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.78 0.324 . . . . 0.0 110.775 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -56.54 -48.6 76.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.163 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.522 HG21 HD21 ' B' ' 97' ' ' LEU . 61.4 t -60.85 -35.07 62.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 29.8 mmt -68.55 -40.92 80.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.366 -178.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -68.65 -41.86 78.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.077 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 116' ' ' VAL . 17.8 mt -56.22 -53.23 59.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.564 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.57 -34.78 71.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.617 -172.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -66.95 -34.7 78.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.101 0.477 . . . . 0.0 110.487 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.49 ' HE1' HD23 ' A' ' 119' ' ' LEU . 39.7 ttp -79.0 -35.96 41.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.473 -177.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.52 HD21 HG21 ' A' ' 68' ' ' THR . 5.5 mp -60.93 -34.69 75.11 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.904 0.383 . . . . 0.0 111.974 -176.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 62.6 m -95.75 10.36 37.25 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.228 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -101.89 97.87 8.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 0.0 111.057 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -69.25 104.79 2.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.569 176.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 6.3 p -149.05 168.65 22.59 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.41 -173.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . 63.36 24.53 14.24 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.812 0.695 . . . . 0.0 111.511 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -69.54 104.68 2.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.371 -175.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -78.49 99.85 6.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 173.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 35.4 m -107.41 -10.45 10.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 23.5 m -78.39 79.57 4.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.057 0.456 . . . . 0.0 111.303 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.246 0.902 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.423 178.241 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 t -149.05 152.12 35.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.643 0.259 . . . . 0.0 110.393 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.34 3.72 66.48 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.862 176.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -106.01 173.97 6.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.644 0.259 . . . . 0.0 110.383 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 t -85.85 162.8 18.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.845 0.355 . . . . 0.0 110.651 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.425 HE21 ' HB2' ' A' ' 6' ' ' GLN . 1.3 mp0 -86.48 148.39 46.57 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.753 177.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -61.35 162.62 19.78 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.57 2.18 . . . . 0.0 112.055 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.451 ' CG2' HG21 ' A' ' 105' ' ' THR . 9.5 pt -80.68 9.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.895 -175.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.425 ' CE2' ' HA ' ' A' ' 67' ' ' ASN . 80.4 m95 -81.03 21.17 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.573 -177.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.2 p -78.83 -16.28 57.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.406 0.622 . . . . 0.0 109.565 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.49 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 42.7 m-80 -132.67 116.17 14.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.445 176.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -59.71 -41.07 58.69 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.85 2.367 . . . . 0.0 112.587 -176.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -77.22 -32.3 55.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.375 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 11' ' ' ASN . . . -67.23 -43.38 82.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.135 176.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.78 -41.25 92.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.363 176.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.0 ttm -57.59 -33.77 68.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.781 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.0 m -62.15 -39.88 94.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.272 177.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.891 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -63.94 -41.71 97.53 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.152 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.33 -47.75 84.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.689 178.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 94.3 m-20 -62.02 -46.32 89.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.794 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.53 -32.72 71.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.145 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 97' ' ' LEU . 29.5 mt -63.46 -45.79 89.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.623 0.249 . . . . 0.0 110.746 175.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.34 -40.86 89.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.183 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 75.8 mt-30 -59.82 -51.57 69.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.469 176.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.0 t -62.15 -37.34 84.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.039 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.467 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -71.9 -40.62 68.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.019 0.438 . . . . 0.0 111.3 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.0 t -67.71 -33.97 75.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.288 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 14.8 ptm180 -77.27 -36.93 53.92 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.059 178.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 p -68.66 -47.29 66.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.792 0.329 . . . . 0.0 110.693 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.96 23.61 77.75 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.345 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.9 p -86.59 -17.31 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.196 0.522 . . . . 0.0 110.102 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.467 HD13 ' HB1' ' A' ' 26' ' ' ALA . 5.3 mp -90.87 153.85 19.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.941 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.0 p -83.59 176.39 9.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.045 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.94 -37.46 87.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.87 0.367 . . . . 0.0 110.8 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.26 -61.41 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.388 0.613 . . . . 0.0 109.808 175.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.616 ' HB3' HG13 ' A' ' 77' ' ' VAL . 44.5 mt-30 -57.42 -46.28 83.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.842 -175.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 73.1 mmm -62.72 -38.15 89.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.139 -175.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -78.28 -32.51 49.53 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.569 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.483 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 66.7 m-20 -69.62 -34.39 74.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.99 0.424 . . . . 0.0 109.965 175.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.44 ' O ' ' HB3' ' A' ' 43' ' ' MET . 46.6 mmm -60.56 -39.18 87.03 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.502 0.668 . . . . 0.0 109.856 171.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.52 -45.02 95.75 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.467 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.592 ' SD ' ' HG3' ' B' ' 62' ' ' ARG . 12.2 ptt? -71.15 -22.67 62.02 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 122.614 -0.345 . . . . 0.0 110.626 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.44 ' HB3' ' O ' ' A' ' 40' ' ' MET . 41.9 ttp -60.67 -53.9 51.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 174.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.75 -40.34 96.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.374 176.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.529 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 28.1 t70 -60.45 -41.39 94.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.413 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.2 t -60.18 -50.78 72.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.168 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.44 ' O ' ' HG2' ' A' ' 51' ' ' MET . 44.2 t -57.41 -42.54 80.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.038 0.447 . . . . 0.0 110.501 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -66.18 -54.13 29.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.132 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 16.5 p -64.07 -34.22 77.53 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -175.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.798 ' HB3' HH22 ' A' ' 62' ' ' ARG . 15.2 mm100 -62.06 -37.85 86.58 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.617 175.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 92.1 mmm -70.79 -32.08 69.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.433 178.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -65.37 -38.01 88.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.118 0.485 . . . . 0.0 110.163 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 49' ' ' SER . 40.8 mtmt -73.27 -12.42 60.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.346 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 69.0 mtm -115.68 -161.04 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.968 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.74 -140.19 4.13 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.737 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -79.16 130.46 9.29 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.878 2.386 . . . . 0.0 112.978 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 59.57 94.15 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.403 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.506 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -79.23 163.8 24.83 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.74 2.293 . . . . 0.0 111.871 175.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.49 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 18.5 Cg_endo -61.31 139.34 82.44 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.731 2.288 . . . . 0.0 112.453 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.27 -42.78 99.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.885 -176.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.435 ' CE1' ' HB3' ' B' ' 38' ' ' ASP . 20.5 p80 -59.3 -30.23 68.18 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.138 0.494 . . . . 0.0 110.268 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.798 HH22 ' HB3' ' A' ' 50' ' ' GLN . 67.5 ttt-85 -74.49 -41.59 60.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.142 -177.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.02 -38.48 91.24 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 174.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 64' ' ' ARG . 30.6 ttp180 -57.06 -40.92 77.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.47 174.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.84 -41.96 67.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.439 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 91.1 mmm -58.34 -31.83 67.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.749 -177.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.425 ' HA ' ' CE2' ' A' ' 9' ' ' TRP . 7.6 t30 -50.05 -56.73 9.63 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.476 0.485 . . . . 0.0 111.577 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.4 m -71.74 -28.47 63.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.443 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.26 -52.29 65.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 0.0 110.672 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.8 ttt -64.4 -40.94 96.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.691 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.2 75.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.424 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.14 -34.41 76.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 -177.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.83 -55.93 28.1 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 123.08 0.238 . . . . 0.0 110.867 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 78' ' ' VAL . 53.5 t -56.19 -44.04 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.026 0.441 . . . . 0.0 110.643 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.31 -50.35 73.96 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.808 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.542 ' HB3' HG21 ' B' ' 68' ' ' THR . 3.1 pp20? -68.85 -28.82 67.06 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.604 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.616 HG13 ' HB3' ' A' ' 36' ' ' GLN . 24.3 t -61.41 -46.93 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 172.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 74' ' ' VAL . 95.4 t -63.22 -39.67 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.777 0.322 . . . . 0.0 110.544 176.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.81 2.89 9.08 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.89 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.42 ' HB ' ' HG2' ' A' ' 36' ' ' GLN . 40.4 m -86.7 -13.05 46.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.473 0.654 . . . . 0.0 109.775 174.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.418 ' HB2' ' HA ' ' A' ' 86' ' ' TYR . 3.2 m -73.2 145.55 85.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.684 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.8 155.92 60.9 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.111 1.874 . . . . 0.0 109.664 170.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -56.85 -35.85 98.49 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.372 2.048 . . . . 0.0 112.098 -172.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -69.32 -18.72 63.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.188 -0.914 . . . . 0.0 112.291 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 t -119.33 -3.5 10.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.963 0.411 . . . . 0.0 110.64 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.418 ' HA ' ' HB2' ' A' ' 81' ' ' SER . 38.4 t80 -60.97 -47.79 84.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.191 -177.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -62.82 -41.06 99.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.75 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.14 -49.48 77.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 81.5 t -65.44 -42.39 93.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.48 -52.32 66.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.453 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -57.73 -38.76 75.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.763 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.0 m -63.04 -59.24 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.626 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.481 ' HA ' HD13 ' A' ' 93' ' ' ILE . 0.7 OUTLIER -58.41 -44.15 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 -178.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.46 -41.4 88.26 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.084 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.73 -40.34 72.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.716 0.293 . . . . 0.0 110.841 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 73.6 m -59.32 -44.05 92.61 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.024 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.891 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 7.6 mp -54.07 -44.12 70.87 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.712 0.291 . . . . 0.0 111.551 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -60.16 -49.17 78.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.128 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -72.9 -42.03 64.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.08 -176.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.3 m -58.4 -35.89 72.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.038 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.415 ' HB3' ' O ' ' A' ' 107' ' ' SER . 9.7 mmt -64.27 -44.33 92.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.805 177.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 29.7 ttm -69.61 -30.07 67.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -80.39 -13.26 59.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.791 0.329 . . . . 0.0 110.922 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.46 -57.95 2.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.784 0.326 . . . . 0.0 111.227 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.451 HG21 ' CG2' ' A' ' 8' ' ' ILE . 82.5 p -109.79 -18.77 13.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.035 0.445 . . . . 0.0 111.293 -175.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.61 5.0 65.26 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.429 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 101' ' ' MET . 32.1 p -141.72 149.99 41.22 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.2 t -96.78 111.84 27.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.765 0.317 . . . . 0.0 110.678 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -81.82 124.85 30.03 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -89.66 -27.61 20.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.976 -175.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.78 -48.39 81.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.794 0.331 . . . . 0.0 110.94 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -69.48 -52.82 23.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.386 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.778 ' HA ' HD23 ' A' ' 97' ' ' LEU . 23.6 m -53.92 -43.45 69.76 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.9 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.551 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 56.9 t30 -69.48 -42.34 74.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.613 0.244 . . . . 0.0 110.754 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.98 -43.58 95.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.95 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' A' ' 119' ' ' LEU . 90.8 t -59.34 -36.62 64.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 120.883 0.373 . . . . 0.0 110.777 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.413 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 27.2 mmt -69.89 -31.77 69.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.21 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 25.7 mm-40 -78.51 -42.14 30.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.275 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.546 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 13.9 mt -54.92 -51.76 65.04 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.734 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.19 -39.27 84.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.609 -174.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 117' ' ' MET . 55.3 mtpt -62.56 -41.8 99.15 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 110.745 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.422 ' HE1' HD23 ' B' ' 119' ' ' LEU . 45.6 ttp -67.68 -39.94 84.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.709 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 91.4 mt -66.85 -40.83 88.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.1 t -89.81 15.47 9.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -92.05 84.49 5.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.304 0.573 . . . . 0.0 111.426 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -94.55 118.96 32.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.665 177.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.6 m -134.21 22.08 3.76 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.555 0.693 . . . . 0.0 109.72 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.57 -28.6 33.77 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.014 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -100.69 64.68 1.11 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.364 177.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.63 142.61 48.32 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.921 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 30.1 m -108.52 28.07 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.156 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.6 m -49.17 108.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.31 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 13.1 m . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.303 -178.062 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.438 0 N-CA-C 112.259 -0.336 . . . . 0.0 112.259 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -164.38 165.87 21.21 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.13 -10.4 85.55 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.479 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -118.33 164.82 14.64 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.5 t -72.9 175.76 6.28 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.151 0.501 . . . . 0.0 110.561 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.4 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 1.6 mp0 -100.07 150.63 37.05 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.319 -178.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 6' ' ' GLN . 37.7 Cg_exo -61.66 168.24 8.75 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.833 2.356 . . . . 0.0 112.586 177.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.429 ' CG2' HG21 ' B' ' 105' ' ' THR . 27.2 pt -80.63 15.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.357 -174.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -81.3 46.85 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.142 0.496 . . . . 0.0 111.736 -176.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.5 p -91.22 -21.68 21.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.347 0.594 . . . . 0.0 109.74 172.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.471 ' HA ' ' HD3' ' B' ' 12' ' ' PRO . 45.9 m-80 -133.8 132.36 21.54 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.533 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 11' ' ' ASN . 16.6 Cg_exo -64.26 -50.02 3.13 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.794 2.329 . . . . 0.0 112.812 -173.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.07 -27.71 61.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.736 -175.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.73 -45.43 78.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.993 0.425 . . . . 0.0 110.446 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.14 -34.21 70.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.052 0.453 . . . . 0.0 110.396 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 46.1 ttm -55.34 -31.89 62.09 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.457 176.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 48.1 m -62.59 -34.83 77.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.967 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.793 ' HE2' ' HG ' ' B' ' 97' ' ' LEU . 7.5 ttt -65.84 -43.66 87.82 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 175.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -44.85 94.35 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.957 -178.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -68.52 -42.71 78.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -64.9 -29.58 70.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.223 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 18' ' ' MET . 37.5 mt -63.19 -45.74 90.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.747 0.308 . . . . 0.0 110.651 175.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 59.8 t -63.19 -41.12 91.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.123 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -62.84 -42.74 99.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.542 176.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 0.589 ' HA ' ' CD ' ' B' ' 28' ' ' ARG . 34.3 t -66.79 -36.59 82.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.05 0.452 . . . . 0.0 110.783 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.501 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -70.47 -38.23 74.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.255 0.55 . . . . 0.0 110.987 176.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 32.8 t -71.8 -31.81 66.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.866 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.589 ' CD ' ' HA ' ' B' ' 25' ' ' CYS . 1.8 ptm180 -81.1 -19.76 42.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.729 0.3 . . . . 0.0 110.7 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.6 p -88.51 -48.42 7.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.821 0.343 . . . . 0.0 110.734 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.0 20.15 73.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.708 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.559 HG13 HD12 ' B' ' 32' ' ' LEU . 10.7 p -86.8 -21.08 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.979 0.419 . . . . 0.0 110.583 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.649 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.9 mp -86.22 152.71 22.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.329 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 80.7 p -90.65 178.29 6.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.407 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.37 -30.52 68.47 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.028 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.62 -64.51 0.92 Allowed 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.772 0.796 . . . . 0.0 109.195 173.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.649 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 40.8 mt-30 -61.25 -41.37 96.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 113.975 -1.466 . . . . 0.0 111.978 -171.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 82.8 mmm -65.89 -33.06 74.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -176.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.435 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 33.9 t70 -78.76 -36.49 42.96 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.21 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.481 ' HA ' ' HG2' ' B' ' 42' ' ' MET . 67.6 m-20 -66.2 -40.64 90.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.929 176.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.621 ' HG2' HG11 ' B' ' 77' ' ' VAL . 61.1 mmm -60.98 -41.67 96.91 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.192 0.52 . . . . 0.0 110.097 172.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.8 -49.15 78.92 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.192 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.599 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 12.8 ptt? -70.42 -20.98 62.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.106 -0.237 . . . . 0.0 110.881 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . 0.418 ' HB3' ' O ' ' B' ' 40' ' ' MET . 45.3 ttp -62.3 -53.41 55.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 173.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.3 98.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.754 175.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.599 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 21.2 t70 -54.74 -43.02 72.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.346 177.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 32.4 t -60.47 -48.71 80.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.636 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 43' ' ' MET . 21.3 t -62.48 -46.48 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.591 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -62.04 -48.33 80.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.121 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.442 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 49.7 p -66.26 -37.0 84.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.14 -175.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -61.77 -31.55 71.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.522 0.201 . . . . 0.0 111.25 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . 0.429 ' SD ' ' HB2' ' B' ' 12' ' ' PRO . 37.2 mtp -72.56 -26.65 61.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 176.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -86.15 -27.47 24.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 49' ' ' SER . 6.5 mmmm -63.79 -39.17 93.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.485 173.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 63.3 mtm -92.44 178.37 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.03 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -118.42 -138.71 5.97 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 176.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.78 147.92 31.7 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.384 2.056 . . . . 0.0 112.191 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 64.47 89.39 0.1 Allowed Pre-proline 0 N--CA 1.466 0.372 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.359 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -86.28 158.53 9.7 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.873 2.382 . . . . 0.0 112.837 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.471 ' HG2' ' CB ' ' B' ' 62' ' ' ARG . 67.4 Cg_endo -76.55 136.81 17.74 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 123.472 2.782 . . . . 0.0 112.638 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -70.59 -39.34 73.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.455 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.472 ' HD1' ' CG ' ' A' ' 39' ' ' ASP . 22.6 p80 -62.33 -28.11 69.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.603 0.24 . . . . 0.0 110.915 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.592 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 14.9 ttm180 -70.94 -37.41 72.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.21 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.44 -37.94 89.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -60.99 -39.1 88.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.906 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.2 -46.67 40.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.143 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 94.6 mmm -59.73 -31.78 69.94 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.313 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -50.82 -54.19 25.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.165 0.507 . . . . 0.0 110.645 175.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.542 HG21 ' HB3' ' A' ' 76' ' ' GLU . 8.0 m -74.78 -30.88 61.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.868 -177.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -59.82 -56.95 15.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.383 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.7 ttt -57.74 -44.03 85.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.044 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.81 92.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.382 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.435 ' HA ' HD13 ' B' ' 119' ' ' LEU . . . -70.94 -33.94 70.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.093 -178.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 44.3 mt-10 -61.38 -52.13 65.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.622 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.482 ' O ' HG23 ' B' ' 78' ' ' VAL . 52.3 t -54.52 -44.91 70.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.109 0.48 . . . . 0.0 110.592 176.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.22 -48.15 82.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.757 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -69.52 -28.38 65.98 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.728 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.621 HG11 ' HG2' ' B' ' 40' ' ' MET . 35.2 t -62.08 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 173.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 74' ' ' VAL . 61.0 t -62.88 -40.18 87.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.081 0.467 . . . . 0.0 110.507 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.23 -4.19 27.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.841 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 87.2 m -80.57 -28.83 37.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 110.964 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' B' ' 82' ' ' PRO . 31.3 p -74.5 148.8 85.96 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.964 -178.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 81' ' ' SER . 33.3 Cg_exo -60.06 162.07 17.53 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.203 2.602 . . . . 0.0 111.86 178.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -52.21 -41.1 67.63 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.941 2.427 . . . . 0.0 113.109 -172.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -71.39 -17.27 62.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.49 -175.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 25.9 t -112.33 -8.83 13.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.717 0.294 . . . . 0.0 110.641 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -56.79 -56.53 20.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.731 -177.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -65.54 -35.67 81.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.622 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.1 -47.92 82.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.912 0.387 . . . . 0.0 111.07 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 88.1 t -67.4 -41.95 86.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.092 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -58.49 -50.43 73.77 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.657 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -56.48 -40.77 75.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.579 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.1 m -66.54 -54.05 27.99 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.692 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -59.05 -41.92 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.995 179.567 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.01 -39.57 79.7 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.332 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.83 -37.2 56.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.956 0.408 . . . . 0.0 110.475 177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 87.4 m -60.97 -38.33 85.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.605 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.793 ' HG ' ' HE2' ' B' ' 18' ' ' MET . 7.9 mp -60.54 -44.14 96.42 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.811 177.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.482 ' HG3' HG11 ' B' ' 108' ' ' VAL . 42.8 ttt180 -59.75 -47.5 85.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.581 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -65.51 -50.87 63.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.225 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.3 m -55.06 -41.22 71.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.571 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.472 ' HB3' ' O ' ' B' ' 107' ' ' SER . 11.5 mmt -60.26 -45.33 93.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.027 0.441 . . . . 0.0 110.69 177.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 23.2 ttm -66.61 -32.96 74.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.228 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -81.39 -22.29 38.42 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.845 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.78 -64.32 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.901 0.381 . . . . 0.0 111.255 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.429 HG21 ' CG2' ' B' ' 8' ' ' ILE . 63.5 p -97.6 -31.76 12.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.438 -176.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.01 7.27 38.59 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -174.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . 0.472 ' O ' ' HB3' ' B' ' 101' ' ' MET . 14.0 p -143.05 150.0 38.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.482 HG11 ' HG3' ' B' ' 98' ' ' ARG . 64.1 t -97.56 110.3 25.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.708 0.29 . . . . 0.0 110.806 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -78.82 133.44 37.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.953 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.46 -31.78 15.14 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.078 -177.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.5 63.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.787 0.327 . . . . 0.0 111.417 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -68.1 -49.09 63.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.321 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.732 ' HA ' HD23 ' B' ' 97' ' ' LEU . 22.9 m -58.7 -36.21 73.87 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.773 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -73.79 -41.21 62.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.6 0.238 . . . . 0.0 110.883 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.82 -44.69 93.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -176.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.522 HG21 HD21 ' B' ' 97' ' ' LEU . 69.3 t -60.89 -35.59 65.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.834 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 28.5 mmt -69.2 -28.6 66.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.69 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -80.41 -44.72 18.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.886 0.374 . . . . 0.0 110.258 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' B' ' 116' ' ' VAL . 16.5 mt -55.07 -48.94 72.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.062 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 8.4 p -66.05 -41.21 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.052 -174.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -68.45 -34.54 76.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 110.905 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.487 ' HE1' HD23 ' A' ' 119' ' ' LEU . 45.7 ttp -69.52 -38.34 77.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.46 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' B' ' 119' ' ' LEU . 92.1 mt -70.68 -24.01 62.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.169 0.509 . . . . 0.0 110.811 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 46.0 m -103.24 10.15 37.8 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.045 -178.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -82.54 85.86 6.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.373 0.606 . . . . 0.0 111.319 -176.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -79.45 101.95 8.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.29 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 26.4 m -106.96 20.26 19.29 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.011 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.15 -5.74 49.49 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.261 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -83.18 89.57 6.98 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.725 176.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -66.14 115.31 6.02 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.179 -0.918 . . . . 0.0 110.908 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 35.5 m -79.08 -11.9 13.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.753 175.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 3.7 m -60.35 109.34 0.97 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.104 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.251 -178.428 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.028 -0.429 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 m -69.83 110.34 4.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.917 0.389 . . . . 0.0 110.238 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 106.15 30.73 4.35 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.277 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -88.87 -23.61 22.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.206 0.527 . . . . 0.0 110.308 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.3 m -149.11 155.18 40.32 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.421 ' O ' ' HG3' ' A' ' 6' ' ' GLN . 25.9 pt20 -129.51 109.77 17.56 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 121.22 0.533 . . . . 0.0 111.318 -176.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -86.47 153.2 9.12 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.081 2.521 . . . . 0.0 111.071 173.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 15' ' ' ALA . 5.6 pt -79.3 9.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.889 0.376 . . . . 0.0 111.425 -178.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -82.49 25.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.623 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.471 HG23 ' ND2' ' A' ' 11' ' ' ASN . 11.1 t -75.7 -21.36 57.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 171.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.471 ' ND2' HG23 ' A' ' 10' ' ' THR . 47.9 m-80 -134.9 114.0 11.79 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.177 -0.919 . . . . 0.0 108.561 171.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -65.28 -28.49 55.36 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.807 2.338 . . . . 0.0 112.628 -174.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -72.28 -37.94 68.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.752 0.311 . . . . 0.0 110.222 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.14 82.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.118 0.485 . . . . 0.0 110.164 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' HA ' ' CD1' ' A' ' 8' ' ' ILE . . . -64.97 -41.76 95.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.107 175.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 46.8 ttm -63.02 -28.95 70.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.559 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.6 m -62.34 -40.69 97.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.931 176.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.871 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -63.51 -41.42 98.52 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.105 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.52 -44.78 95.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.054 178.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -72.37 -37.19 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.338 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -62.05 -36.28 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.83 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.5 mt -59.34 -45.12 92.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.708 0.289 . . . . 0.0 110.919 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.8 t -62.91 -41.88 94.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.519 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -67.17 -36.15 81.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.893 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.539 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 39.4 t -68.57 -37.91 80.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.248 0.546 . . . . 0.0 110.335 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.87 -34.39 73.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.772 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.7 t -72.13 -35.82 69.22 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.054 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.539 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 3.5 ptp180 -75.23 -27.85 59.67 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.93 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.439 ' HB2' HG23 ' A' ' 31' ' ' VAL . 28.5 p -81.89 -54.69 5.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.635 0.255 . . . . 0.0 110.555 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.25 28.36 60.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.66 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 ' HB2' ' A' ' 29' ' ' SER . 12.2 t -81.83 -22.32 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.481 0.658 . . . . 0.0 109.92 177.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 32' ' ' LEU . 4.5 mp -94.68 158.7 15.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.517 -175.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.5 p -82.99 172.82 12.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.529 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.96 98.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.629 0.252 . . . . 0.0 111.409 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.89 -37.28 86.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 0.0 110.338 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -69.73 -40.34 76.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.714 177.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 82.9 mmm -66.44 -40.22 89.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.08 0.467 . . . . 0.0 110.843 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.61 -30.51 69.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.022 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -65.36 -46.57 79.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.62 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.55 ' O ' ' HB3' ' A' ' 43' ' ' MET . 89.0 mtp -66.93 -33.16 74.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.394 176.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.39 -46.63 93.47 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.164 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.515 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 11.7 ptt? -75.88 -15.3 60.23 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.303 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.55 ' HB3' ' O ' ' A' ' 40' ' ' MET . 47.7 ttp -62.0 -51.63 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 171.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.78 84.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.057 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.515 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 19.4 t70 -61.62 -48.06 82.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.706 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 p -64.68 -32.61 74.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 111.416 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 43' ' ' MET . 45.9 t -70.02 -42.16 79.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.942 0.401 . . . . 0.0 110.295 174.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -72.66 -42.1 64.7 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.381 -174.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 8.3 p -62.21 -38.46 89.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -175.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.54 ' HB2' ' NH2' ' A' ' 62' ' ' ARG . 48.0 mt-30 -68.04 -28.28 67.25 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.774 178.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 91.0 mmm -67.64 -31.56 71.64 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 176.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -77.02 -24.57 52.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.033 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.455 ' HE3' ' HB3' ' B' ' 49' ' ' SER . 7.8 mtpm? -78.15 -17.9 56.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.734 175.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 69.4 mtm -113.77 -164.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.501 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -138.4 -153.28 6.17 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.863 -0.685 . . . . 0.0 112.292 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.44 129.97 26.91 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 123.125 2.55 . . . . 0.0 112.366 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 54.56 80.55 0.29 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.247 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -68.15 161.7 43.31 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.784 2.323 . . . . 0.0 111.646 175.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.455 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . 14.4 Cg_endo -57.42 118.61 5.51 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.574 2.182 . . . . 0.0 111.472 177.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.411 ' HA ' HD13 ' A' ' 63' ' ' LEU . 14.6 mm100 -58.7 -29.62 66.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.83 -174.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.828 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 9.6 p80 -67.62 -26.83 66.44 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.127 0.489 . . . . 0.0 110.562 178.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.614 ' O ' ' HG2' ' A' ' 66' ' ' MET . 3.2 tmt_? -67.28 -34.96 78.5 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 173.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 60' ' ' GLN . 9.6 mp -69.9 -37.14 75.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.156 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.828 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 32.8 ptt180 -63.3 -39.74 95.43 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.21 84.15 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.821 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.614 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 97.1 mmm -69.18 -28.96 66.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.208 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -58.36 -48.58 80.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.135 0.493 . . . . 0.0 110.041 176.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.537 HG22 ' HB1' ' B' ' 72' ' ' ALA . 11.6 m -71.11 -36.41 72.15 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.709 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -62.59 -55.2 29.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.185 178.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.9 ttt -55.74 -44.48 77.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.103 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.98 98.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.087 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.562 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -72.55 -32.1 65.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.263 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.564 ' O ' HG23 ' A' ' 77' ' ' VAL . 49.1 mt-10 -62.2 -48.3 80.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.401 177.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.41 -45.39 93.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.998 0.428 . . . . 0.0 110.648 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.404 ' HB1' ' HA ' ' A' ' 120' ' ' VAL . . . -59.94 -40.95 90.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.698 179.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.619 ' HG3' ' HA ' ' B' ' 65' ' ' ALA . 1.3 tm-20 -58.46 -49.09 78.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.58 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 73' ' ' GLU . 78.3 t -56.61 -47.45 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.427 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -70.89 -37.58 68.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.777 -176.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.44 -16.46 63.49 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -174.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.2 m -83.0 -7.26 59.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.119 0.485 . . . . 0.0 111.234 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.3 m -68.63 153.64 95.57 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.683 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.584 ' HD2' ' HB3' ' A' ' 85' ' ' SER . 44.9 Cg_exo -57.72 161.75 11.96 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.976 2.451 . . . . 0.0 111.22 177.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -61.51 -33.93 86.6 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.149 1.899 . . . . 0.0 111.865 -171.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -90.55 -24.6 20.56 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.733 -176.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.584 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 19.7 t -92.69 -16.93 24.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.241 0.543 . . . . 0.0 110.222 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -54.24 -46.11 72.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.195 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.6 t -64.43 -37.11 86.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.02 -50.2 62.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.952 0.406 . . . . 0.0 110.749 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 63.9 t -62.4 -42.3 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.457 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.73 -49.42 77.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.623 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -59.33 -37.6 78.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.533 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.4 m -64.96 -55.22 20.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.745 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 93' ' ' ILE . 0.8 OUTLIER -61.13 -41.91 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.986 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.75 -41.06 82.08 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.379 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.84 -38.66 67.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.76 0.314 . . . . 0.0 110.612 177.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 99.0 m -59.17 -44.59 92.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.558 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.871 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 8.5 mp -55.2 -41.23 71.69 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.665 0.269 . . . . 0.0 111.577 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.568 ' HG3' HG21 ' A' ' 108' ' ' VAL . 54.4 ttt-85 -62.5 -53.63 51.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.858 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -65.79 -45.73 81.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.871 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.8 m -57.92 -37.3 73.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.671 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.549 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 10.3 mmt -64.37 -44.76 90.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.772 0.32 . . . . 0.0 110.432 177.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 26.3 ttm -68.12 -31.8 71.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.058 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -82.57 -13.68 56.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.821 0.344 . . . . 0.0 110.895 177.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.01 -65.26 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.045 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 76.4 p -95.03 -22.0 18.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.057 0.456 . . . . 0.0 111.263 -175.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 102.61 -1.15 49.21 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.4 -175.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.0 m -146.03 157.47 43.86 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.568 HG21 ' HG3' ' A' ' 98' ' ' ARG . 7.6 p -107.33 125.39 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.491 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -87.84 146.49 25.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.769 173.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -105.08 -15.35 15.11 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.236 -177.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.17 -51.8 41.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.655 0.264 . . . . 0.0 110.595 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -66.04 -48.73 70.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.068 0.461 . . . . 0.0 109.946 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.741 ' HA ' HD23 ' A' ' 97' ' ' LEU . 12.1 m -54.33 -44.81 72.38 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.677 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -69.51 -41.62 75.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.333 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -59.24 -45.17 91.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.524 HG21 HD21 ' A' ' 97' ' ' LEU . 67.6 t -61.16 -37.94 78.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.719 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 24.6 mmt -63.26 -34.85 78.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.769 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -73.74 -45.93 48.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.053 0.454 . . . . 0.0 110.161 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 13.6 mt -55.05 -52.9 61.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.553 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.404 ' HA ' ' HB1' ' A' ' 75' ' ' ALA . 13.5 p -63.12 -35.56 72.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.802 -173.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -75.32 -36.85 61.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.768 0.318 . . . . 0.0 110.458 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 37.0 ttp -68.58 -36.2 78.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.372 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 84.0 mt -62.59 -22.03 66.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.823 0.344 . . . . 0.0 111.246 -178.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t -116.76 20.82 13.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.935 0.398 . . . . 0.0 110.201 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -105.45 29.36 6.56 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.865 -176.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -79.59 126.05 30.4 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.1 m -72.82 81.12 1.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.191 0.519 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -101.75 31.69 3.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.188 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -72.02 99.65 2.32 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.107 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -76.64 109.85 10.74 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.919 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 27.5 m -100.39 -18.61 6.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.433 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.7 t -84.95 101.87 12.7 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.515 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 18.1 p . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.42 -178.386 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.068 -0.413 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.8 p -155.57 105.91 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.666 0.27 . . . . 0.0 110.4 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.99 19.17 77.88 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.053 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -96.88 138.62 34.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.638 0.256 . . . . 0.0 110.425 -177.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -61.32 129.3 40.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.952 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 12.7 pm0 -98.98 128.05 33.33 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-O 121.168 0.509 . . . . 0.0 111.286 -174.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -89.06 162.73 5.85 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.775 2.316 . . . . 0.0 110.955 171.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.577 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.6 pp -74.28 -13.37 15.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.862 0.363 . . . . 0.0 111.068 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -72.63 83.07 1.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.846 0.832 . . . . 0.0 111.271 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.8 m -150.08 -34.68 0.17 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.368 174.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.528 ' HB2' ' HB3' ' B' ' 14' ' ' ALA . 58.6 m-20 -95.31 109.6 45.98 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.694 173.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.32 -45.18 15.88 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.573 2.182 . . . . 0.0 113.233 -170.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -79.88 -25.77 40.53 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.779 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' B' ' 11' ' ' ASN . . . -67.71 -41.64 83.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.953 0.406 . . . . 0.0 109.94 173.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.04 -37.94 87.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.226 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 42.3 ttm -64.17 -28.56 69.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.728 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.5 m -63.46 -36.72 84.67 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 176.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 1.054 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -64.39 -45.66 86.7 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.068 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.79 -42.4 93.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.538 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -65.63 -50.04 66.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.485 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.15 -33.59 72.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.374 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.419 HD21 ' HA ' ' B' ' 97' ' ' LEU . 24.8 mt -59.29 -51.4 70.12 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.64 0.257 . . . . 0.0 110.439 175.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.34 -43.92 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.602 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 45.9 mt-30 -59.74 -49.17 78.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.719 0.295 . . . . 0.0 110.577 177.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 37.7 t -62.89 -42.75 99.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 -178.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.15 -38.54 82.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.173 0.511 . . . . 0.0 111.354 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 26.1 t -70.38 -39.15 74.73 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.951 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 16.0 ptp180 -83.27 -17.43 42.63 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.453 -178.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 26.4 p -79.1 -39.98 32.31 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 171.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.42 27.53 71.27 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.637 174.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 t -84.51 -22.22 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.444 0.64 . . . . 0.0 109.528 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.445 ' N ' HD12 ' B' ' 32' ' ' LEU . 5.0 mp -100.98 153.5 19.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.238 -177.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 63.3 p -84.29 170.61 13.5 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.249 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.06 -29.19 70.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.871 0.367 . . . . 0.0 110.705 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -59.45 -53.8 53.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.391 174.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.572 ' HB3' HG13 ' B' ' 77' ' ' VAL . 51.8 mt-30 -65.1 -43.99 90.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.127 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 80.3 mmm -64.02 -31.57 72.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.657 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.503 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 2.5 t70 -74.13 -35.31 64.1 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -48.36 77.18 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.936 171.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.421 ' O ' ' HB3' ' B' ' 43' ' ' MET . 89.3 mtp -66.41 -36.79 83.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.139 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.41 -44.19 97.98 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.624 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -64.15 -33.81 76.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.962 0.41 . . . . 0.0 110.548 176.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . 0.456 ' O ' HG23 ' B' ' 47' ' ' VAL . 42.8 ttp -58.8 -47.31 85.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.503 177.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.88 94.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.467 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.12 -39.51 82.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.898 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.7 p -65.77 -36.22 82.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.856 0.36 . . . . 0.0 110.988 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 43' ' ' MET . 43.1 t -69.19 -39.13 78.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.168 0.508 . . . . 0.0 109.881 173.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -69.36 -47.93 62.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.304 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.455 ' HB3' ' HE3' ' A' ' 53' ' ' LYS . 7.0 p -59.13 -43.54 92.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.74 -173.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.571 ' HB2' ' NH2' ' B' ' 62' ' ' ARG . 48.3 mt-30 -64.39 -26.35 68.42 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.92 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 83.5 mmm -74.31 -26.5 60.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.896 0.379 . . . . 0.0 110.624 178.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.431 HE21 ' HA ' ' B' ' 49' ' ' SER . 49.0 mt-30 -80.15 -31.6 38.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.29 0.567 . . . . 0.0 109.544 175.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -73.88 -32.86 63.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.392 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 73.0 mtm -91.29 178.81 5.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.397 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -128.27 -138.87 4.67 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.196 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.0 126.17 13.48 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.62 2.213 . . . . 0.0 112.56 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 60.64 89.59 0.1 Allowed Pre-proline 0 N--CA 1.467 0.423 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.93 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.69 163.84 31.09 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.96 2.44 . . . . 0.0 111.699 176.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' B' ' 62' ' ' ARG . 20.6 Cg_endo -63.01 135.64 52.38 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.396 2.064 . . . . 0.0 112.007 177.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.441 ' HA ' HE21 ' B' ' 60' ' ' GLN . 0.0 OUTLIER -60.29 -36.44 77.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.796 -176.468 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.829 ' HA ' ' HG2' ' B' ' 64' ' ' ARG . 13.8 p80 -65.66 -21.78 66.58 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.116 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.571 ' NH2' ' HB2' ' B' ' 50' ' ' GLN . 2.3 tmt_? -65.32 -33.98 77.26 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 94.3 mt -74.06 -42.2 60.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.84 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.829 ' HG2' ' HA ' ' B' ' 61' ' ' HIS . 39.2 ptt85 -66.45 -33.32 75.43 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.409 -178.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.619 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . . . -76.63 -45.83 28.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 98.8 mmm -65.58 -24.28 67.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.427 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -54.63 -55.99 23.77 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.547 172.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.562 HG22 ' HB1' ' A' ' 72' ' ' ALA . 17.0 m -72.15 -34.24 68.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.791 -178.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -61.06 -55.33 33.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.793 178.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 18.8 ttt -55.89 -45.46 78.6 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.954 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.82 99.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.28 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.537 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -68.78 -38.04 79.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.453 -178.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.536 ' O ' HG23 ' B' ' 77' ' ' VAL . 49.0 mt-10 -62.82 -45.26 93.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.456 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.45 ' O ' HG23 ' B' ' 78' ' ' VAL . 51.3 t -59.65 -43.81 92.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.664 0.269 . . . . 0.0 110.639 175.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.41 95.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.04 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -59.28 -47.94 83.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.934 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.572 HG13 ' HB3' ' B' ' 36' ' ' GLN . 97.5 t -60.02 -43.16 91.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.485 -179.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 74' ' ' VAL . 69.5 t -69.9 -42.61 79.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.116 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.51 91.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.2 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 24.5 m -79.46 76.14 6.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.33 0.585 . . . . 0.0 110.575 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 77.8 p -154.65 161.42 29.42 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.61 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.79 139.61 86.26 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.121 1.881 . . . . 0.0 111.0 175.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.97 -19.65 66.74 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.585 2.19 . . . . 0.0 112.273 -173.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.445 ' NE2' ' HB2' ' B' ' 85' ' ' SER . 4.7 pp0? -80.67 -17.96 49.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.447 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.445 ' HB2' ' NE2' ' B' ' 84' ' ' GLN . 10.7 t -118.29 -4.34 10.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.967 -177.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -56.1 -48.37 76.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.652 0.263 . . . . 0.0 110.717 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 32.5 t -61.22 -38.13 85.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.96 -51.73 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.729 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.37 -44.02 91.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.46 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.1 -51.43 70.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.357 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -63.4 -37.08 85.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.712 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.6 m -62.35 -54.72 36.34 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.272 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.7 OUTLIER -60.03 -45.08 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.675 178.674 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.54 -44.15 85.73 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.189 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.14 -42.63 75.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.646 0.26 . . . . 0.0 110.748 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 86.7 m -61.42 -34.91 76.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.293 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 1.054 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 3.9 mp -58.09 -46.35 85.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.66 0.267 . . . . 0.0 111.227 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.414 ' HA ' HG23 ' B' ' 108' ' ' VAL . 72.3 ttt-85 -58.94 -48.7 80.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -65.6 -47.45 75.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.722 -177.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 46.5 m -54.12 -46.49 72.18 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.257 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.511 ' SD ' ' HG3' ' B' ' 18' ' ' MET . 16.6 mmt -63.67 -45.02 92.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 111.017 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 22.0 ttm -65.93 -31.33 72.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.416 -176.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -89.7 -13.19 37.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.602 0.239 . . . . 0.0 111.463 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -94.56 -45.66 7.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.006 0.432 . . . . 0.0 111.264 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.577 HG21 ' HB ' ' B' ' 8' ' ' ILE . 62.6 p -108.4 -40.02 5.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.968 0.413 . . . . 0.0 111.142 -177.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 125.07 -7.12 8.17 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 49.9 m -150.45 159.3 44.58 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.414 HG23 ' HA ' ' B' ' 98' ' ' ARG . 3.0 p -88.82 114.92 27.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.206 0.527 . . . . 0.0 111.077 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -68.27 106.32 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.016 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -75.78 -28.14 58.29 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.854 -175.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.41 86.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.008 0.432 . . . . 0.0 110.619 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.435 ' O ' HG23 ' B' ' 116' ' ' VAL . 78.1 t80 -69.41 -50.75 42.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.286 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.676 ' HA ' HD23 ' B' ' 97' ' ' LEU . 19.3 m -56.45 -40.01 74.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.994 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -68.19 -44.49 75.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.785 0.326 . . . . 0.0 110.549 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.78 -45.62 93.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.158 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.465 HG21 HD21 ' B' ' 97' ' ' LEU . 91.5 t -57.34 -37.89 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 111.24 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' B' ' 121' ' ' LYS . 30.0 mmt -68.12 -34.2 75.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.783 -178.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -78.76 -37.42 41.14 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.412 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' B' ' 116' ' ' VAL . 12.6 mt -56.48 -48.9 76.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.204 178.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.57 -33.79 58.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.509 -175.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' B' ' 117' ' ' MET . 53.2 mtpt -79.5 -25.5 41.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.522 0.201 . . . . 0.0 110.986 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 42.6 ttp -67.93 -37.86 82.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.961 0.41 . . . . 0.0 110.058 175.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.04 -18.31 61.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.273 0.559 . . . . 0.0 109.993 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 21.5 t -104.2 14.77 29.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.4 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -84.65 30.5 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.594 0.711 . . . . 0.0 111.373 -175.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -78.82 108.86 12.57 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.451 178.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 29.5 t -80.17 138.51 36.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.119 178.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -95.45 16.7 16.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.727 -173.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -76.1 72.59 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.381 0.61 . . . . 0.0 109.809 177.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -99.9 117.79 34.96 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.711 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 35.2 m -84.12 8.35 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.735 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 1.4 m -80.91 80.84 7.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.062 177.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.647 -0.692 . . . . 0.0 110.573 -179.482 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.783 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 p -85.63 -56.98 3.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.9 0.381 . . . . 0.0 110.645 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 124.83 -132.48 8.16 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.578 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -124.18 9.58 8.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.836 0.827 . . . . 0.0 109.04 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 8.5 t -154.74 175.45 13.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.694 178.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 5' ' ' SER . 15.4 mm-40 72.97 127.02 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.283 0 O-C-N 123.925 0.766 . . . . 0.0 112.479 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 26.7 Cg_exo -62.39 156.92 48.61 Favored 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.755 2.304 . . . . 0.0 111.283 174.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.527 ' CG2' HG21 ' A' ' 105' ' ' THR . 9.1 pt -74.62 4.01 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -173.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -81.44 22.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.9 m -74.49 -26.42 59.99 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 173.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -128.57 131.98 24.08 Favored Pre-proline 0 C--O 1.233 0.222 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.11 175.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -69.82 -34.04 15.19 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.78 2.32 . . . . 0.0 113.045 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -81.97 -30.49 31.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.982 0.42 . . . . 0.0 109.96 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.71 -48.26 80.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.469 175.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HA ' HD12 ' A' ' 8' ' ' ILE . . . -65.64 -34.81 79.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.99 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 52.0 ttm -57.09 -31.26 65.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.279 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.6 m -61.9 -36.72 82.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.041 0.448 . . . . 0.0 110.396 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.413 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -67.73 -39.82 84.24 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.421 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -45.58 89.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.587 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.451 ' O ' ' HG3' ' A' ' 24' ' ' GLN . 93.7 m-20 -60.05 -47.08 87.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.857 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -61.2 -37.55 83.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.754 -178.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.749 HD21 HD12 ' A' ' 97' ' ' LEU . 31.5 mt -60.91 -42.12 97.46 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.674 0.274 . . . . 0.0 111.206 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.27 -38.42 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.925 0.393 . . . . 0.0 110.244 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.496 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 25.1 mt-30 -64.7 -47.52 78.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.071 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.45 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 29.7 p -71.75 -34.66 69.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.704 0.288 . . . . 0.0 110.762 -178.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.8 -44.7 92.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.014 0.435 . . . . 0.0 110.777 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.9 t -65.86 -31.03 71.75 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.709 -176.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 5.1 ptm180 -90.34 -7.55 53.01 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.5 p -75.36 -50.52 15.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.558 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.59 8.7 76.61 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.846 -177.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.465 HG12 HG22 ' A' ' 89' ' ' VAL . 15.4 t -85.61 -37.27 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.158 0.504 . . . . 0.0 110.688 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 32' ' ' LEU . 6.2 mp -82.8 156.05 23.87 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.516 -174.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.0 p -89.88 178.91 6.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.702 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.17 -42.59 96.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.462 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -54.83 -50.89 67.49 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.97 176.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -65.7 -43.63 88.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.877 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.0 mmm -66.29 -35.83 81.39 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.486 ' OD2' ' HE1' ' B' ' 61' ' ' HIS . 33.1 t70 -70.82 -35.42 72.48 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -63.16 -48.52 78.08 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.163 0.506 . . . . 0.0 109.898 173.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.6 mmm -58.86 -40.35 84.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.524 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.06 -45.42 96.61 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.895 176.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.434 ' SD ' ' HD3' ' B' ' 62' ' ' ARG . 51.3 ttp -60.34 -34.91 74.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.494 0.187 . . . . 0.0 110.869 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.589 ' O ' HG23 ' A' ' 47' ' ' VAL . 45.8 ttp -59.44 -53.83 53.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.943 0.401 . . . . 0.0 110.801 178.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.72 -33.28 75.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.207 0.527 . . . . 0.0 110.519 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.36 -43.58 85.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.0 p -65.41 -39.29 91.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.981 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 43' ' ' MET . 34.5 t -58.58 -50.74 77.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.904 0.383 . . . . 0.0 109.999 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -64.77 -39.95 94.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.9 m -65.28 -45.01 86.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.308 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.653 ' OE1' ' HB3' ' B' ' 46' ' ' SER . 11.0 mt-30 -75.85 -29.53 58.62 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.456 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.483 ' HB2' ' O ' ' A' ' 47' ' ' VAL . 5.5 tmm? -56.38 -47.25 79.31 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.028 0.442 . . . . 0.0 110.04 173.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -78.71 -26.69 44.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.417 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HB2' ' HA ' ' A' ' 50' ' ' GLN . 24.9 mtpp -61.48 -43.96 97.93 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.057 0.456 . . . . 0.0 110.429 172.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 75.0 mtm -75.14 -39.1 60.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.313 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.15 -161.17 26.45 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.248 175.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.06 134.79 30.38 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.71 2.274 . . . . 0.0 111.804 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.0 m120 57.29 73.46 0.78 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.891 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -81.62 162.69 19.1 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.46 2.107 . . . . 0.0 112.489 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.0 141.51 58.36 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.417 2.078 . . . . 0.0 111.604 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -82.73 -18.63 40.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.469 -172.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.872 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 35.0 p80 -73.38 -30.36 63.24 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.404 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.544 ' O ' ' HG2' ' A' ' 66' ' ' MET . 72.2 mtt180 -71.81 -26.12 62.28 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.246 173.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.6 mt -72.02 -38.54 69.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.674 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.872 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 11.7 ptt180 -62.17 -37.14 84.13 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.525 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -68.97 -36.9 78.41 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.875 177.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.544 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 93.3 mmm -65.12 -32.23 73.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.603 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -52.42 -61.16 2.46 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.104 0.478 . . . . 0.0 111.033 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.57 HG22 ' HB1' ' B' ' 72' ' ' ALA . 95.4 m -73.2 -23.64 60.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.98 -57.5 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 175.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.3 ttt -57.25 -46.02 83.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.645 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.82 -46.29 91.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.622 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.535 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -69.74 -34.79 74.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.441 -176.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 48.9 mt-10 -63.91 -44.59 92.5 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.472 178.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.447 HG23 ' SD ' ' A' ' 43' ' ' MET . 68.2 t -59.23 -48.09 88.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 121.067 0.46 . . . . 0.0 110.523 175.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.38 93.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.065 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.933 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 33.8 tp10 -58.95 -47.94 83.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.575 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 73' ' ' GLU . 71.5 t -54.38 -50.72 55.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.544 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.418 HG22 HG12 ' A' ' 89' ' ' VAL . 59.4 t -67.7 -43.99 86.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.821 -178.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.37 -26.01 68.28 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -176.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.529 HG21 ' HD2' ' B' ' 64' ' ' ARG . 2.7 m -96.84 28.28 3.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.499 0.666 . . . . 0.0 110.812 -177.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.482 ' HB2' ' HA ' ' A' ' 86' ' ' TYR . 32.0 m -84.68 156.05 61.79 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.464 173.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 85' ' ' SER . 37.1 Cg_exo -57.53 152.38 48.19 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 121.724 1.616 . . . . 0.0 110.159 171.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -55.12 -32.46 79.93 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.167 1.911 . . . . 0.0 111.709 -176.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -82.12 -9.94 59.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.043 -0.98 . . . . 0.0 112.013 -177.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.463 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 33.0 t -119.96 -14.11 8.95 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -173.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.482 ' HA ' ' HB2' ' A' ' 81' ' ' SER . 43.3 t80 -49.53 -59.99 3.26 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.217 0.532 . . . . 0.0 111.501 -178.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 m -59.54 -37.72 79.14 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.603 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.84 -47.35 72.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.979 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.465 HG22 HG12 ' A' ' 31' ' ' VAL . 61.5 t -65.2 -40.92 90.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.077 0.465 . . . . 0.0 109.954 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.11 -52.81 64.01 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.772 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -58.61 -39.01 79.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.094 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 73.1 m -61.87 -49.58 75.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.62 -178.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.5 mm -66.76 -47.11 83.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.301 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.73 -29.63 74.46 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.683 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.49 -41.6 32.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.789 0.328 . . . . 0.0 110.349 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 53.7 t -66.7 -37.68 85.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.674 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.749 HD12 HD21 ' A' ' 22' ' ' LEU . 2.3 mp -48.58 -48.78 38.73 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 111.328 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.482 ' HG3' HG21 ' A' ' 108' ' ' VAL . 61.2 ttt180 -61.21 -48.51 81.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.235 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -70.76 -44.2 67.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.058 -176.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.8 m -55.29 -42.23 73.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.425 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.501 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 10.0 mmt -63.81 -42.21 97.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.344 . . . . 0.0 110.941 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 32.9 ttm -72.17 -28.91 63.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.332 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -80.41 -34.19 36.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.917 0.389 . . . . 0.0 110.726 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.08 -48.95 40.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.351 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.527 HG21 ' CG2' ' A' ' 8' ' ' ILE . 62.0 p -111.96 -47.84 3.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.111 0.481 . . . . 0.0 111.332 -175.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 136.39 -14.39 3.97 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 48.9 m -139.26 156.7 46.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.501 ' HA ' ' HB3' ' A' ' 101' ' ' MET . 3.5 p -92.22 117.29 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.17 0.51 . . . . 0.0 111.223 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -79.0 135.86 37.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.214 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -93.14 -23.91 18.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.657 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.56 -45.59 89.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.612 0.244 . . . . 0.0 111.371 -174.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.428 ' O ' HG23 ' A' ' 116' ' ' VAL . 78.9 t80 -75.1 -49.88 18.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.789 0.328 . . . . 0.0 110.615 177.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.607 ' HA ' HD23 ' A' ' 97' ' ' LEU . 30.2 m -57.34 -45.35 84.39 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.504 -176.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -64.73 -43.26 93.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.964 0.411 . . . . 0.0 110.498 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -58.54 -44.31 89.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.745 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.448 ' HA ' HD12 ' A' ' 119' ' ' LEU . 55.1 t -60.15 -38.04 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 178.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.575 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 18.9 mmt -70.52 -38.62 74.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.335 -176.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -73.21 -36.71 66.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.41 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.532 HD23 ' HE1' ' B' ' 122' ' ' MET . 15.6 mt -58.03 -51.23 70.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.883 177.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.8 -30.85 49.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.806 -173.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 117' ' ' MET . 66.4 mttm -66.23 -45.31 81.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.211 0.529 . . . . 0.0 109.802 175.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.516 ' HE1' HD23 ' B' ' 119' ' ' LEU . 47.8 ttp -68.71 -41.96 78.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.155 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.25 -21.57 65.28 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.938 0.399 . . . . 0.0 111.515 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.6 t -84.58 -2.43 57.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.275 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -132.84 116.36 16.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.91 0.386 . . . . 0.0 111.581 -177.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -111.27 143.16 42.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.025 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.1 m -77.69 54.7 1.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.44 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -100.56 21.0 13.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.605 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -78.06 143.71 37.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.312 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.49 106.61 3.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.9 0.381 . . . . 0.0 110.767 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 30.8 m -106.22 -30.54 2.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.721 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.6 t -172.17 154.93 3.5 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.32 -0.69 0 CA-C-O 120.618 0.247 . . . . 0.0 110.56 178.844 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.445 0 N-CA-C 112.342 -0.303 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.6 p -105.01 -45.24 4.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.048 0.452 . . . . 0.0 110.716 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 154.7 171.65 21.71 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -177.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -107.44 14.79 25.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.572 0.701 . . . . 0.0 110.12 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' B' ' 6' ' ' GLN . 8.9 t -156.03 164.37 38.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.506 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' B' ' 5' ' ' SER . 28.1 mm-40 72.83 146.45 0.11 Allowed Pre-proline 0 CA--C 1.53 0.206 0 O-C-N 124.226 0.953 . . . . 0.0 112.328 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -62.76 144.25 93.44 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.644 2.229 . . . . 0.0 112.257 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.499 HG21 HG21 ' B' ' 105' ' ' THR . 25.1 pt -82.18 16.14 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.058 -175.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 69.1 m95 -83.45 51.93 2.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.288 0.566 . . . . 0.0 111.729 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 22.2 p -100.27 -49.45 4.26 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.36 171.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -104.46 123.8 39.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.543 175.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -65.32 -27.15 55.67 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.715 2.277 . . . . 0.0 112.44 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -72.42 -39.59 67.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.62 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.12 -45.35 73.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.891 0.377 . . . . 0.0 110.736 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.32 90.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.08 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -63.33 -30.01 71.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.812 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 86.7 m -65.28 -35.62 81.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.589 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.442 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.82 -40.57 96.93 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.277 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -63.88 -46.05 86.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.87 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -66.54 -42.65 86.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.138 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -59.8 -37.14 78.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.05 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.767 HD21 HD12 ' B' ' 97' ' ' LEU . 49.0 mt -61.56 -42.23 98.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.903 177.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.51 -37.92 81.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.992 0.425 . . . . 0.0 110.358 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -63.35 -52.25 62.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.214 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 0.462 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 29.3 p -68.78 -37.63 79.45 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.941 -177.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.09 -43.89 97.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.965 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 41.2 t -65.72 -41.51 92.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.462 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 1.2 ptm180 -83.18 -6.46 59.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.762 -175.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.489 ' OG ' HG12 ' B' ' 31' ' ' VAL . 97.0 p -80.6 -42.13 22.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.132 0.491 . . . . 0.0 110.312 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.57 4.81 87.37 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.266 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.737 HG13 HD12 ' B' ' 32' ' ' LEU . 11.3 p -88.53 -22.0 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.628 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.737 HD12 HG13 ' B' ' 31' ' ' VAL . 6.5 mp -95.36 151.41 19.29 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 175.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 73.2 p -93.41 171.96 8.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.403 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.82 -31.78 71.17 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.725 0.298 . . . . 0.0 110.547 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.97 -58.6 7.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.815 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.579 ' HB3' HG13 ' B' ' 77' ' ' VAL . 48.7 mt-30 -60.96 -39.79 90.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 81.4 mmm -67.05 -30.91 71.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.847 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.465 ' OD2' ' HE1' ' A' ' 61' ' ' HIS . 27.4 t70 -73.41 -36.03 65.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -66.99 -43.85 81.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.905 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.426 ' O ' ' HB3' ' B' ' 43' ' ' MET . 72.5 mmm -57.64 -42.89 84.34 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.281 0.562 . . . . 0.0 110.237 173.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.67 -40.17 97.28 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.18 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 50.9 ttp -63.37 -34.06 76.89 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-O 120.769 0.319 . . . . 0.0 110.434 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . 0.499 ' O ' HG23 ' B' ' 47' ' ' VAL . 41.0 ttp -59.02 -50.3 74.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.038 0.447 . . . . 0.0 110.453 175.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.25 83.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.741 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -68.78 -43.29 76.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.619 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.653 ' HB3' ' OE1' ' A' ' 50' ' ' GLN . 12.5 p -62.29 -47.77 82.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.065 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 43' ' ' MET . 38.3 t -59.01 -40.92 81.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.936 0.398 . . . . 0.0 110.284 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -65.32 -47.59 76.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.422 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' B' ' 52' ' ' GLN . 53.2 m -65.19 -46.64 79.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.172 -177.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -66.22 -32.14 73.38 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.142 -0.223 . . . . 0.0 111.182 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . 0.421 ' HB2' ' O ' ' B' ' 47' ' ' VAL . 4.5 tmm? -57.49 -53.0 63.08 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.062 0.458 . . . . 0.0 110.623 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' B' ' 49' ' ' SER . 7.6 pt20 -73.13 -19.64 61.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.217 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -74.39 -27.92 60.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.211 173.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.5 mtm -83.41 -38.3 22.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.835 0.35 . . . . 0.0 110.632 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.67 -130.92 10.52 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.531 -0.842 . . . . 0.0 113.531 171.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.0 117.39 5.12 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 123.02 2.48 . . . . 0.0 112.989 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 15.1 m120 49.51 78.69 0.39 Allowed Pre-proline 0 N--CA 1.466 0.374 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.509 177.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -54.96 148.1 48.99 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.649 2.232 . . . . 0.0 113.792 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -69.13 123.94 10.83 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.419 2.746 . . . . 0.0 111.668 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.501 ' HA ' ' CG ' ' B' ' 63' ' ' LEU . 4.2 pt20 -72.53 -6.54 44.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -176.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.823 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 33.9 p80 -75.19 -34.24 61.5 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.233 170.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.434 ' HD3' ' SD ' ' A' ' 42' ' ' MET . 72.9 mtt180 -72.68 -28.56 62.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 173.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.501 ' CG ' ' HA ' ' B' ' 60' ' ' GLN . 89.6 mt -67.0 -41.58 86.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.663 175.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.823 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 21.3 ptt180 -61.76 -36.72 81.85 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.933 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -68.34 -42.37 79.39 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.484 177.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.521 ' HA ' ' HB3' ' B' ' 69' ' ' ALA . 96.7 mmm -71.53 -24.52 61.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.34 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -54.11 -55.36 28.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.175 0.512 . . . . 0.0 110.218 174.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.535 HG22 ' HB1' ' A' ' 72' ' ' ALA . 84.8 m -76.33 -24.32 54.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.817 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.566 ' O ' ' HG2' ' B' ' 73' ' ' GLU . . . -62.76 -55.27 28.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.76 0.314 . . . . 0.0 110.154 174.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.5 ttt -57.78 -46.86 83.99 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.653 177.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.5 92.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.199 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.57 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -71.4 -33.82 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.328 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' B' ' 69' ' ' ALA . 9.1 mm-40 -61.8 -50.47 72.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.682 0.277 . . . . 0.0 110.272 177.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.493 ' O ' HG23 ' B' ' 78' ' ' VAL . 88.8 t -58.28 -46.01 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.275 176.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.53 96.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.187 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.525 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 6.3 tp10 -62.69 -45.2 93.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.902 0.382 . . . . 0.0 110.23 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.579 HG13 ' HB3' ' B' ' 36' ' ' GLN . 67.7 t -59.03 -38.44 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.202 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 74' ' ' VAL . 59.3 t -80.59 -45.07 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.407 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.24 -43.33 82.2 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 7.6 m -85.66 69.47 10.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.465 0.65 . . . . 0.0 110.185 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 15.5 m -136.93 164.17 44.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.336 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.47 144.35 73.75 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.062 1.841 . . . . 0.0 110.983 173.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.72 -16.25 53.63 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.449 2.099 . . . . 0.0 112.136 -173.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -91.18 -6.97 52.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.162 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -121.79 -15.07 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.474 -174.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -47.74 -64.68 0.72 Allowed 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 49.7 m -64.85 -26.41 68.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.643 -175.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.68 -48.79 63.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.001 0.429 . . . . 0.0 110.294 178.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.477 HG12 HG22 ' B' ' 78' ' ' VAL . 59.1 t -64.22 -40.74 90.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.869 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.31 -52.38 65.58 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.909 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -57.84 -39.43 77.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.035 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 59.8 m -64.28 -48.42 75.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.616 -177.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.8 mm -65.78 -46.47 88.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.238 178.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.59 -39.21 96.17 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.702 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.26 -40.28 67.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.719 0.295 . . . . 0.0 110.959 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 48.9 t -69.58 -33.31 72.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.799 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.767 HD12 HD21 ' B' ' 22' ' ' LEU . 0.8 OUTLIER -50.66 -45.33 57.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.405 177.837 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.514 ' HG3' HG21 ' B' ' 108' ' ' VAL . 58.2 ttt180 -62.87 -43.04 99.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.627 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.66 -49.74 50.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 73.2 m -51.38 -43.45 61.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.644 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.478 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 10.7 mmt -64.97 -46.67 80.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.034 0.445 . . . . 0.0 110.912 177.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 25.4 ttm -68.96 -27.48 65.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.541 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -93.66 -6.5 46.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.566 0.222 . . . . 0.0 111.278 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.13 -48.4 5.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.771 0.319 . . . . 0.0 111.132 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.499 HG21 HG21 ' B' ' 8' ' ' ILE . 74.4 p -108.23 -38.3 5.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.398 0.618 . . . . 0.0 110.945 -178.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.78 -21.97 5.53 Favored Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.171 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 17.9 m -130.74 159.88 35.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.514 HG21 ' HG3' ' B' ' 98' ' ' ARG . 5.8 p -100.05 121.24 50.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.151 0.501 . . . . 0.0 111.538 -177.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.11 137.23 34.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.15 173.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -94.7 -23.06 17.73 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.356 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.83 -55.59 28.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.798 0.332 . . . . 0.0 110.738 -175.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.48 ' O ' HG23 ' B' ' 116' ' ' VAL . 83.2 t80 -66.19 -44.13 84.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.335 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.565 ' HA ' HD23 ' B' ' 97' ' ' LEU . 46.6 m -59.66 -46.65 88.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.31 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -66.81 -40.41 88.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -57.45 -47.92 80.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.764 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 112' ' ' PHE . 58.2 t -60.0 -37.31 71.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.066 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 17.7 mmt -68.71 -38.91 80.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -75.12 -35.56 61.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.42 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.516 HD23 ' HE1' ' A' ' 122' ' ' MET . 13.3 mt -59.22 -51.71 68.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.113 177.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 p -65.72 -31.1 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.617 -174.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -69.38 -40.51 77.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.085 0.469 . . . . 0.0 110.337 177.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.532 ' HE1' HD23 ' A' ' 119' ' ' LEU . 47.9 ttp -72.0 -42.66 66.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.784 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.11 -27.67 69.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.818 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 32.1 t -98.93 6.26 46.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.389 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -146.12 89.63 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.466 -0.494 . . . . 0.0 112.062 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -85.44 106.81 17.07 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 172.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 19.7 m -87.77 99.35 12.03 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.433 -173.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -169.36 77.16 0.1 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.987 177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -71.8 160.71 32.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.869 177.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -80.43 81.5 6.67 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.255 0.55 . . . . 0.0 111.839 -173.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 19.0 m -84.48 -30.06 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.448 174.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 23.7 m -117.61 125.1 50.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.04 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--O 1.253 1.279 0 CA-C-O 119.286 -0.388 . . . . 0.0 110.017 177.551 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 107' ' ' SER . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 112.187 -0.365 . . . . 0.0 112.187 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.2 m -156.79 134.95 11.2 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.483 ' O ' ' HB3' ' A' ' 110' ' ' ASN . . . 100.69 -34.01 5.93 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.039 -175.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -175.26 148.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 171.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 m -152.54 -178.83 7.1 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -89.28 138.1 28.91 Favored Pre-proline 0 C--N 1.315 -0.935 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.3 120.25 0.85 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.34 2.693 . . . . 0.0 112.965 -177.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.4 pt -73.44 12.88 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.018 -174.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.441 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 60.4 m95 -80.66 10.47 4.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.871 -177.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 m -64.08 -29.94 71.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.509 0.671 . . . . 0.0 109.24 172.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.408 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 49.8 t-20 -115.03 116.25 42.64 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.872 175.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -69.46 -21.15 35.31 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.832 2.354 . . . . 0.0 112.471 -174.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -85.61 -44.11 12.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.054 0.454 . . . . 0.0 109.792 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.408 ' HB3' ' HB3' ' A' ' 11' ' ' ASN . . . -65.19 -41.61 94.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.927 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' A' ' 9' ' ' TRP . . . -64.43 -40.49 95.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.389 177.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 40.9 ttm -63.24 -27.15 69.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.419 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.1 m -65.18 -40.59 94.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.268 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.418 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -62.32 -40.66 97.07 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.477 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -61.64 -46.34 90.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.874 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -70.31 -40.14 74.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.219 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -59.44 -36.89 76.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.619 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.808 HD21 HD12 ' A' ' 97' ' ' LEU . 40.0 mt -60.34 -48.08 83.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.784 176.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.82 -42.41 92.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.704 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -63.54 -43.42 97.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.726 177.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.519 ' HA ' ' HD2' ' A' ' 28' ' ' ARG . 19.4 t -69.21 -36.97 77.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.875 -178.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.36 -38.61 81.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.154 0.502 . . . . 0.0 110.612 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.6 t -67.81 -38.94 83.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.118 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.519 ' HD2' ' HA ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER -76.78 -17.83 58.8 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.994 -177.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 p -90.17 -49.24 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.712 0.291 . . . . 0.0 110.554 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.83 22.39 64.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.032 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.443 HG12 HG22 ' A' ' 89' ' ' VAL . 11.5 t -81.72 -25.33 9.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.238 0.542 . . . . 0.0 110.159 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 32' ' ' LEU . 5.8 mp -90.25 156.41 18.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.726 -176.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.8 p -86.74 178.67 6.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.734 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.06 97.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.09 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.506 ' OD1' ' HB3' ' B' ' 61' ' ' HIS . 17.8 t70 -64.99 -39.82 94.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.509 -178.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 55.1 mt-30 -66.97 -46.88 73.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 177.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 83.7 mmm -64.77 -41.74 95.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.64 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -65.71 -32.37 73.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.007 0.432 . . . . 0.0 110.207 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.74 -46.58 78.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.242 0.544 . . . . 0.0 109.816 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 43.8 mmm -59.3 -39.38 82.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.338 175.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.45 -49.01 73.26 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.576 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.4 ptt? -70.81 -23.62 62.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.962 0.381 . . . . 0.0 110.225 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 43.5 ttp -59.69 -53.57 56.5 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.082 0.468 . . . . 0.0 109.852 174.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.07 92.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.783 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.61 -37.94 89.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.3 m -60.62 -44.96 95.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.9 t -67.61 -40.96 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.341 0.591 . . . . 0.0 110.241 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -63.25 -46.67 85.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.922 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.45 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 13.2 p -64.72 -45.21 87.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.525 -175.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.432 ' NE2' HH21 ' A' ' 62' ' ' ARG . 61.8 mt-30 -59.01 -44.98 91.77 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.782 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -55.37 -46.22 76.51 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.773 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -69.25 -34.25 74.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.23 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 49' ' ' SER . 26.3 mtpp -72.7 -39.03 67.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.186 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.673 ' SD ' ' HD3' ' A' ' 62' ' ' ARG . 74.2 mtm -75.98 -41.29 51.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 178.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.97 -150.34 21.43 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.463 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.18 142.27 27.13 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.724 2.283 . . . . 0.0 112.16 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.8 m120 61.15 72.64 0.67 Allowed Pre-proline 0 N--CA 1.467 0.4 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.391 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -87.52 161.71 8.04 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.981 2.454 . . . . 0.0 112.143 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.423 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 28.0 Cg_endo -63.16 123.14 11.66 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.902 2.401 . . . . 0.0 111.869 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.499 ' OE1' HD12 ' A' ' 63' ' ' LEU . 13.4 mm-40 -65.57 -29.13 69.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.95 -174.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -69.08 -26.41 64.93 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.077 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.673 ' HD3' ' SD ' ' A' ' 54' ' ' MET . 59.2 ttt180 -76.02 -30.74 58.59 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.499 HD12 ' OE1' ' A' ' 60' ' ' GLN . 67.2 mt -71.64 -36.08 70.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.514 173.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.73 HH11 ' HG2' ' A' ' 64' ' ' ARG . 22.5 ttp85 -57.97 -43.48 86.5 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.08 171.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.621 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -62.19 -47.94 82.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.61 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.461 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 99.1 mmm -68.88 -21.66 64.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.464 -176.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 64' ' ' ARG . 5.2 t30 -58.82 -50.0 75.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.108 0.48 . . . . 0.0 110.233 172.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.494 HG22 ' HB1' ' B' ' 72' ' ' ALA . 6.2 m -69.97 -38.43 76.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.303 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.68 -50.31 74.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.22 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.7 ttt -59.82 -45.74 91.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.23 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.87 95.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.172 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.47 94.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.801 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.601 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 16.8 mm-40 -60.63 -54.88 40.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.561 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 78' ' ' VAL . 61.1 t -55.12 -44.54 74.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.966 0.412 . . . . 0.0 110.723 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.72 92.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.473 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -71.53 -28.13 63.67 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.343 -178.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 73' ' ' GLU . 44.1 t -62.14 -48.14 89.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 172.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 74' ' ' VAL . 67.6 t -66.02 -42.37 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.011 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.24 -26.92 68.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.713 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.7 m -87.28 76.37 9.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.191 0.52 . . . . 0.0 110.232 178.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.5 p -160.67 164.12 19.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.674 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -62.0 137.04 64.63 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.254 1.97 . . . . 0.0 110.98 173.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.07 -13.01 37.92 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.619 2.213 . . . . 0.0 112.373 -172.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -82.32 -14.7 54.92 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.934 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.0 t -126.51 2.76 6.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.135 0.493 . . . . 0.0 110.491 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -59.52 -41.55 90.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.163 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.5 t -67.17 -34.22 77.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.277 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.43 65.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.545 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.443 HG22 HG12 ' A' ' 31' ' ' VAL . 48.0 t -62.02 -42.88 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.302 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.72 -53.02 62.5 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.68 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -57.92 -35.74 71.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.962 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.5 m -64.27 -54.6 30.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.376 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.482 HG23 HD13 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -60.0 -43.16 91.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.894 177.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.09 -41.95 94.86 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.188 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.22 68.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.692 0.282 . . . . 0.0 110.803 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.434 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 73.1 m -65.23 -29.59 70.4 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.171 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.808 HD12 HD21 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -56.69 -47.16 80.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.142 0.496 . . . . 0.0 110.265 176.344 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.419 ' HG3' HG11 ' A' ' 108' ' ' VAL . 33.5 ttt180 -59.43 -51.57 69.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.998 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.434 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 7.3 pt-20 -75.89 -27.19 57.61 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -175.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.8 m -61.2 -41.68 97.25 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.252 175.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.1 mmt -67.39 -40.34 85.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.078 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.8 tpp -61.75 -39.86 93.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.211 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 15.5 mm100 -79.79 -25.92 40.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.75 0.309 . . . . 0.0 111.051 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.43 -64.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -176.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 61.4 p -96.29 -25.9 15.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.91 0.386 . . . . 0.0 110.919 -175.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.3 4.2 58.49 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -175.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.445 ' HB3' ' O ' ' A' ' 1' ' ' GLY . 50.2 m -138.54 144.3 39.84 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.419 HG11 ' HG3' ' A' ' 98' ' ' ARG . 58.7 t -88.54 104.48 14.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.797 0.332 . . . . 0.0 111.25 -178.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -80.99 131.18 35.29 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 170.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.483 ' HB3' ' O ' ' A' ' 3' ' ' GLY . 8.0 t30 -106.91 -4.9 18.65 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.87 -53.39 18.26 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.426 ' O ' HG23 ' A' ' 116' ' ' VAL . 85.4 t80 -66.02 -42.01 90.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.156 175.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.59 ' HA ' HD23 ' A' ' 97' ' ' LEU . 69.2 m -58.53 -48.8 79.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.55 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -65.92 -38.7 89.36 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.758 0.314 . . . . 0.0 110.283 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.3 -46.87 76.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.597 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 112' ' ' PHE . 61.2 t -64.58 -34.79 72.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 28.3 mmt -70.32 -34.68 72.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.135 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -74.05 -39.43 63.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.96 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 116' ' ' VAL . 12.4 mt -58.09 -54.99 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.098 178.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.52 -30.76 50.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.391 -174.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -74.47 -34.78 63.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.694 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 43.6 ttp -66.51 -43.03 86.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.758 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -67.76 -21.99 65.23 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.967 0.413 . . . . 0.0 110.851 177.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.9 t -95.26 3.33 54.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.402 -176.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -135.8 96.13 3.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.011 0.434 . . . . 0.0 111.166 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -81.5 122.21 27.26 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.234 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 27.6 p -78.38 80.0 4.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.441 0.638 . . . . 0.0 110.777 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -101.79 18.93 19.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.248 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -76.52 94.87 3.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.987 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.55 154.77 20.4 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.056 0.455 . . . . 0.0 110.943 -177.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 15.4 m -129.55 23.92 2.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.441 175.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 17.0 m -82.34 92.74 7.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.726 -175.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.956 176.793 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.506 0 N-CA-C 111.983 -0.447 . . . . 0.0 111.983 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.56 ' HA ' ' HB ' ' B' ' 108' ' ' VAL . 14.7 m -114.27 114.59 26.16 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.88 -105.4 0.2 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.907 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -135.36 147.89 49.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.064 0.459 . . . . 0.0 110.035 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 40.9 m -137.29 176.91 8.28 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -84.82 143.79 41.03 Favored Pre-proline 0 C--N 1.314 -0.956 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 173.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -35.01 111.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.818 3.012 . . . . 0.0 113.38 -174.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' B' ' 15' ' ' ALA . 1.4 pt -68.28 -1.23 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.708 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.781 ' HA ' ' HB2' ' B' ' 15' ' ' ALA . 49.6 m95 -75.43 10.39 1.68 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.379 178.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 11.7 m -57.33 -34.14 68.45 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.395 0.617 . . . . 0.0 110.162 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.562 ' HB2' ' HB3' ' B' ' 14' ' ' ALA . 2.3 m-20 -113.82 124.32 31.3 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 171.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -64.44 -32.43 60.16 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.639 2.226 . . . . 0.0 112.441 -175.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -81.5 -39.8 24.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.838 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' B' ' 11' ' ' ASN . . . -63.95 -42.33 97.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.689 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.781 ' HB2' ' HA ' ' B' ' 9' ' ' TRP . . . -65.83 -41.4 91.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.134 0.493 . . . . 0.0 110.685 176.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 47.4 ttm -61.03 -25.96 67.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.83 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 42.2 m -64.08 -39.59 94.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.195 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.97 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -62.55 -43.95 97.54 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.013 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -62.63 -44.01 97.37 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -71.31 -45.8 62.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.731 -177.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -65.05 -30.51 71.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.756 0.312 . . . . 0.0 110.519 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.768 HD11 HD12 ' B' ' 97' ' ' LEU . 12.8 tp -59.45 -47.58 84.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.205 177.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.529 HG22 ' HB3' ' B' ' 40' ' ' MET . 61.9 t -64.79 -40.81 90.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.545 178.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -63.53 -36.48 83.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.086 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 49.3 t -69.09 -40.27 78.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.878 0.371 . . . . 0.0 110.364 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.69 -33.93 74.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.517 0.675 . . . . 0.0 110.67 177.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 34.3 t -67.59 -34.95 78.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.325 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -89.13 -10.71 46.23 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.4 ' HB2' HG23 ' B' ' 31' ' ' VAL . 18.1 p -89.58 -41.92 11.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.014 0.435 . . . . 0.0 110.195 177.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.79 18.87 79.68 Favored Glycine 0 C--N 1.33 0.218 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.117 174.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' B' ' 29' ' ' SER . 14.0 t -78.95 -28.97 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.367 0.603 . . . . 0.0 110.292 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.457 ' N ' HD12 ' B' ' 32' ' ' LEU . 6.0 mp -86.47 156.57 20.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.01 -173.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 55.0 p -86.94 177.85 7.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.749 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.23 96.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -62.61 -47.06 85.42 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.24 0.543 . . . . 0.0 109.882 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.612 ' HB3' HG13 ' B' ' 77' ' ' VAL . 53.0 mt-30 -63.65 -47.9 79.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.149 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 82.3 mmm -65.49 -38.91 91.15 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -70.45 -30.27 67.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.831 0.348 . . . . 0.0 110.261 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.462 ' HB3' HG22 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -65.33 -43.73 90.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.572 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.529 ' HB3' HG22 ' B' ' 23' ' ' VAL . 63.3 mmm -61.81 -47.61 84.33 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.697 176.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.91 -41.06 99.61 Favored Glycine 0 C--N 1.331 0.265 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.052 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -61.4 -42.98 99.59 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.725 0.298 . . . . 0.0 110.508 176.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . 0.522 ' O ' HG23 ' B' ' 47' ' ' VAL . 47.3 ttp -52.71 -54.0 39.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.79 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.35 79.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.337 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.32 -39.03 71.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.005 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -66.56 -37.85 85.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.885 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.543 ' O ' ' HG2' ' B' ' 51' ' ' MET . 42.6 t -65.79 -40.48 87.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -65.15 -53.15 49.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.186 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 13.1 p -62.89 -41.18 99.32 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.824 -175.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -64.03 -32.81 74.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.576 0.227 . . . . 0.0 111.06 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' B' ' 47' ' ' VAL . 83.4 mmm -75.41 -25.4 57.55 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.771 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -69.07 -37.4 78.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.232 0.539 . . . . 0.0 109.81 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -66.35 -50.31 64.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.894 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.6 mtm -87.17 -39.51 15.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.86 -173.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.4 -164.68 43.91 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.126 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -69.59 155.84 65.4 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.584 2.189 . . . . 0.0 112.125 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.445 HD22 ' HA ' ' B' ' 57' ' ' ASN . 10.2 m120 61.61 74.47 0.5 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.881 -179.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -96.78 178.94 0.49 Allowed 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.439 2.76 . . . . 0.0 110.96 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.664 ' O ' ' HB3' ' B' ' 62' ' ' ARG . 19.4 Cg_endo -63.62 147.43 92.85 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 121.653 1.568 . . . . 0.0 110.996 172.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -65.91 -37.28 85.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.784 0.326 . . . . 0.0 111.607 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.515 ' HA ' ' HB3' ' B' ' 64' ' ' ARG . 13.9 p80 -66.92 -20.92 65.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.636 0.255 . . . . 0.0 110.672 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.664 ' HB3' ' O ' ' B' ' 59' ' ' PRO . 20.6 tpt180 -58.03 -45.22 87.3 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.462 HD13 ' O ' ' B' ' 9' ' ' TRP . 49.6 mt -73.06 -40.2 65.26 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.976 178.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.515 ' HB3' ' HA ' ' B' ' 61' ' ' HIS . 57.7 ttp85 -56.17 -46.76 79.22 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.454 178.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.41 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -75.0 -44.21 49.45 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -176.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 99.4 mmm -62.1 -26.91 68.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.173 -176.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -55.55 -51.52 66.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.107 0.48 . . . . 0.0 109.901 172.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.472 HG21 ' HB3' ' A' ' 76' ' ' GLU . 7.5 m -69.21 -39.03 78.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.698 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -58.75 -50.24 74.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.99 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 21.9 ttt -58.72 -45.71 88.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.193 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.82 -45.37 94.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.402 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.494 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -64.8 -37.34 87.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' B' ' 76' ' ' GLU . 45.6 mt-10 -63.94 -39.59 94.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.901 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.82 -44.3 85.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.99 0.424 . . . . 0.0 110.955 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.42 99.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.54 -177.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.621 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 17.3 pt-20 -64.15 -35.78 81.88 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.612 HG13 ' HB3' ' B' ' 36' ' ' GLN . 46.7 t -60.99 -46.45 96.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.316 177.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 56.9 t -65.9 -43.81 92.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.886 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.53 -25.98 66.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.987 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 21.8 m -86.57 73.77 10.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.445 0.64 . . . . 0.0 110.505 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 78.8 p -162.96 159.86 18.95 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.288 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . 0.47 ' HB2' ' HG2' ' B' ' 84' ' ' GLN . 26.6 Cg_exo -63.55 147.03 93.27 Favored 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 122.223 1.948 . . . . 0.0 110.959 174.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 82' ' ' PRO . 21.0 Cg_exo -55.65 -31.74 80.72 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.61 2.206 . . . . 0.0 112.047 -175.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.47 ' HG2' ' HB2' ' B' ' 82' ' ' PRO . 20.8 pt20 -62.71 -28.3 69.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.555 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.423 ' O ' HG23 ' B' ' 89' ' ' VAL . 12.3 p -112.24 -8.7 13.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.531 -177.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -55.45 -51.31 67.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.832 -176.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 7.7 t -67.71 -35.26 78.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.938 0.399 . . . . 0.0 110.017 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.63 69.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.918 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 85' ' ' SER . 98.7 t -61.39 -41.16 88.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.137 0.494 . . . . 0.0 110.17 178.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.61 -52.43 65.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.448 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.63 -33.31 73.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.913 -179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 70.6 m -64.7 -56.48 13.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.17 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.8 OUTLIER -59.39 -44.45 92.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 179.478 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.0 -32.1 62.21 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 121.291 -0.48 . . . . 0.0 112.82 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.98 -39.2 20.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.688 0.28 . . . . 0.0 110.927 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' CYS . . . . . 0.504 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 72.3 m -63.77 -34.82 78.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.601 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.97 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 5.9 mp -60.15 -43.42 95.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.99 0.424 . . . . 0.0 110.732 178.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -59.56 -46.84 87.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.98 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.504 ' HG2' ' HA ' ' B' ' 96' ' ' CYS . 12.3 pt-20 -75.29 -32.9 61.14 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.444 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 54.9 m -63.0 -37.75 88.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.612 0.244 . . . . 0.0 110.531 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.446 ' HE1' ' HG3' ' B' ' 18' ' ' MET . 20.5 mmt -67.34 -42.21 83.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.956 0.407 . . . . 0.0 110.268 176.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . 0.404 ' HE1' HG23 ' B' ' 108' ' ' VAL . 51.1 tpp -60.31 -37.09 79.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.849 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -89.64 -4.09 57.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.88 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -105.96 -56.81 2.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.784 0.326 . . . . 0.0 111.435 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 75.3 p -101.6 -31.5 10.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.135 0.493 . . . . 0.0 110.9 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.32 -0.37 40.51 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.495 -176.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 20.2 m -135.33 161.0 36.64 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.56 ' HB ' ' HA ' ' B' ' 2' ' ' SER . 89.8 t -103.33 105.69 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.88 0.372 . . . . 0.0 111.212 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -88.05 115.64 25.66 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 171.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -95.66 -0.86 51.18 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.961 0.41 . . . . 0.0 110.005 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.07 -51.77 35.35 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -64.77 -47.92 76.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.798 175.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.627 ' HA ' HD23 ' B' ' 97' ' ' LEU . 20.2 m -53.39 -44.51 68.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.567 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -70.02 -35.74 74.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.666 0.27 . . . . 0.0 110.683 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -57.33 -44.99 84.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.272 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.473 HG21 HD21 ' B' ' 97' ' ' LEU . 59.3 t -63.31 -34.78 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.966 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . 0.419 ' O ' ' HG3' ' B' ' 121' ' ' LYS . 29.5 mmt -68.78 -37.18 79.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.077 -178.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -71.92 -41.89 67.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.358 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' B' ' 116' ' ' VAL . 13.2 mt -55.99 -51.58 67.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.342 178.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.34 -28.1 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.631 -174.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' B' ' 117' ' ' MET . 68.9 mttm -76.08 -36.44 58.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.809 0.338 . . . . 0.0 110.323 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 43.5 ttp -64.29 -39.08 93.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.566 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.98 -24.62 64.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.215 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 16.6 t -92.58 0.76 57.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.201 0.524 . . . . 0.0 110.591 -177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -86.54 95.32 9.69 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.052 0.453 . . . . 0.0 110.775 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -89.89 21.56 3.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.132 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 6.4 p -89.2 83.65 6.5 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.515 0.674 . . . . 0.0 111.051 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -110.43 35.92 3.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.45 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -58.53 128.09 35.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.884 -177.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.23 116.49 25.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.987 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 29.8 m -80.94 14.48 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.957 -175.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 14.6 m -65.94 96.99 0.33 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.124 0.487 . . . . 0.0 110.001 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.252 1.21 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.447 -176.12 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -132.85 169.49 16.67 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.63 50.84 3.9 Favored Glycine 0 CA--C 1.517 0.157 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.27 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -131.9 104.27 6.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.854 0.359 . . . . 0.0 110.835 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.6 m -95.81 103.49 15.38 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 174.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.455 ' HB2' ' HD2' ' A' ' 7' ' ' PRO . 13.0 pt20 -156.09 160.94 30.43 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.055 -175.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.455 ' HD2' ' HB2' ' A' ' 6' ' ' GLN . 17.9 Cg_endo -60.09 156.09 41.49 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.59 2.193 . . . . 0.0 112.17 176.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.447 HG21 HG21 ' A' ' 105' ' ' THR . 11.8 pt -78.0 10.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.086 -175.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -80.77 72.3 7.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.478 0.656 . . . . 0.0 111.85 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.7 p -117.88 -26.22 6.54 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.51 170.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -128.73 131.53 23.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.983 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.6 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 12.5 Cg_exo -63.67 -43.21 17.6 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.631 2.221 . . . . 0.0 112.231 -178.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -67.12 -38.39 85.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.943 0.401 . . . . 0.0 110.742 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.36 99.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.542 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.69 76.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.902 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.44 ' CE ' ' HA ' ' A' ' 48' ' ' ASN . 43.5 ttm -58.04 -33.06 68.58 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.1 m -61.42 -37.37 83.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.97 0.414 . . . . 0.0 110.281 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.879 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -67.51 -41.99 83.57 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 176.103 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -62.19 -42.27 99.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.006 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -68.91 -48.42 63.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.727 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.404 ' HA ' HE21 ' A' ' 24' ' ' GLN . 94.7 m-20 -59.97 -33.56 72.1 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.075 0.464 . . . . 0.0 110.599 178.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.507 HD11 HD12 ' A' ' 97' ' ' LEU . 16.6 tp -64.58 -33.02 74.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.071 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.9 t -77.4 -39.85 28.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.3 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 51.6 mt-30 -58.97 -44.62 91.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.783 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 24.1 p -68.91 -40.75 78.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.357 . . . . 0.0 110.603 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -62.16 -40.69 96.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.366 0.603 . . . . 0.0 110.678 178.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.4 t -61.93 -43.61 98.48 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.552 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 2.4 ptp180 -85.04 -27.26 26.5 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -176.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.4 p -65.05 -40.04 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.367 . . . . 0.0 110.503 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.45 6.76 88.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.538 173.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.906 HG23 HD12 ' A' ' 32' ' ' LEU . 6.5 m -77.42 -18.45 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 117.103 0.451 . . . . 0.0 111.277 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.906 HD12 HG23 ' A' ' 31' ' ' VAL . 5.7 mp -101.61 150.04 23.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.425 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.2 p -86.62 177.77 7.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.727 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.75 -32.92 74.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.98 0.419 . . . . 0.0 110.587 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.77 -52.9 54.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.863 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.453 ' HB3' HD23 ' A' ' 32' ' ' LEU . 52.8 mt-30 -61.9 -38.74 89.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.166 -177.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 75.7 mmm -65.58 -33.78 76.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.83 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.433 ' HB3' ' CE1' ' B' ' 61' ' ' HIS . 39.1 t70 -82.12 -25.12 34.69 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.31 178.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 42' ' ' MET . 74.8 m-20 -63.21 -51.34 66.69 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.522 ' O ' ' HB3' ' A' ' 43' ' ' MET . 84.5 mtp -67.71 -23.75 65.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.2 174.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.91 -46.23 92.11 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.991 -0.623 . . . . 0.0 111.751 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 22.5 ptt? -71.76 -20.79 61.83 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.208 178.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.522 ' HB3' ' O ' ' A' ' 40' ' ' MET . 49.7 ttp -59.45 -54.0 51.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.171 0.51 . . . . 0.0 110.1 171.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.36 74.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.526 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.417 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 35.7 t70 -71.57 -39.26 70.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.615 -179.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 p -66.3 -38.57 88.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.649 0.262 . . . . 0.0 110.75 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 43' ' ' MET . 21.8 t -66.66 -39.46 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.343 0.592 . . . . 0.0 110.031 175.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 43.0 t-20 -68.51 -48.96 63.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.065 -178.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 12.4 p -60.52 -36.84 79.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -177.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -60.42 -39.33 87.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.256 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.6 ' SD ' ' HB2' ' A' ' 12' ' ' PRO . 57.3 mtp -68.89 -29.09 67.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.72 0.295 . . . . 0.0 110.687 178.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -75.38 -31.89 60.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.224 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 49' ' ' SER . 72.4 mmtt -73.43 -52.24 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.658 177.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.576 ' SD ' ' HD2' ' A' ' 62' ' ' ARG . 72.9 mtm -82.13 -78.78 0.19 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.342 -177.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.87 -152.01 21.97 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.308 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -85.84 -0.65 8.67 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.147 2.565 . . . . 0.0 113.646 -175.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -138.3 68.25 47.07 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-O 120.882 0.372 . . . . 0.0 110.833 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -84.24 163.23 13.2 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.992 2.461 . . . . 0.0 112.77 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.406 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 36.9 Cg_endo -67.41 137.19 42.35 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.585 2.19 . . . . 0.0 111.811 176.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -65.8 -37.94 87.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.848 -176.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.48 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 21.6 p80 -63.12 -25.88 68.56 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.941 0.4 . . . . 0.0 110.916 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.679 ' HG3' ' SD ' ' B' ' 42' ' ' MET . 32.1 ttm180 -68.33 -36.88 79.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.9 mt -69.36 -34.37 74.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.803 175.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.64 ' HD2' HG21 ' B' ' 80' ' ' THR . 30.5 ttp85 -56.38 -45.97 80.28 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.507 174.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.486 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -72.36 -38.0 68.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 89.8 mmm -64.35 -25.48 68.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.716 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -55.19 -49.81 70.96 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.301 0.376 . . . . 0.0 110.744 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.2 m -76.56 -30.33 57.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.936 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.48 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -58.71 -58.62 7.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.654 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.5 ttt -58.82 -40.57 84.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.753 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.76 80.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.451 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.472 ' HB1' ' OE2' ' A' ' 76' ' ' GLU . . . -71.92 -29.11 63.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.152 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 35.9 mt-10 -64.03 -18.01 63.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.783 -0.19 . . . . 0.0 110.952 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.4 t -92.86 -47.77 13.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.923 0.392 . . . . 0.0 110.765 173.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.33 -53.03 56.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.46 -174.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.58 ' HG2' ' HB ' ' B' ' 68' ' ' THR . 1.9 mp0 -61.46 -31.67 71.64 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.44 ' O ' HG22 ' A' ' 80' ' ' THR . 76.9 t -66.31 -35.27 74.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.161 0.505 . . . . 0.0 110.271 176.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.423 HG22 HG12 ' A' ' 89' ' ' VAL . 48.1 t -73.34 -43.14 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.715 177.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.447 ' HB2' HG23 ' A' ' 120' ' ' VAL . . . -74.16 -14.4 60.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -175.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 77' ' ' VAL . 6.0 t -90.26 1.93 55.98 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.046 0.45 . . . . 0.0 111.275 -176.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.6 p -88.4 163.53 36.04 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.524 -178.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -58.75 159.87 19.48 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.717 2.278 . . . . 0.0 111.549 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.65 -27.77 69.05 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.163 1.909 . . . . 0.0 111.651 -175.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -78.68 -21.56 48.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.751 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.406 ' O ' HG23 ' A' ' 89' ' ' VAL . 7.7 t -100.86 -23.48 14.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.315 -176.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -48.02 -61.28 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.599 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.3 m -60.72 -36.03 77.81 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.261 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.8 -45.26 83.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.738 0.304 . . . . 0.0 110.927 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.423 HG12 HG22 ' A' ' 78' ' ' VAL . 57.4 t -72.15 -43.63 66.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.435 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -56.63 -51.04 70.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.449 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -59.05 -45.12 91.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.8 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.1 m -63.28 -49.51 73.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.993 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.2 mm -64.74 -49.56 79.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.782 178.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.43 -41.81 73.36 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.32 -0.467 . . . . 0.0 112.628 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.99 -39.14 66.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.66 0.267 . . . . 0.0 110.848 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.411 ' SG ' HD12 ' A' ' 22' ' ' LEU . 45.0 t -68.52 -30.52 69.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.831 -175.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.879 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 7.8 mp -60.07 -40.71 90.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.179 0.514 . . . . 0.0 110.184 176.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -63.77 -43.31 96.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.257 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 10.8 mm-40 -65.01 -52.17 57.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.338 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.0 m -57.35 -39.77 76.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.949 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 17.7 mmt -63.96 -40.69 96.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.995 0.426 . . . . 0.0 110.167 176.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 47.6 tpp -65.03 -32.17 73.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.846 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 81.6 mm-40 -82.69 -31.89 28.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.344 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.58 -61.55 1.77 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.836 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.447 HG21 HG21 ' A' ' 8' ' ' ILE . 62.5 p -98.68 -30.52 12.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.115 0.483 . . . . 0.0 111.103 -176.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.86 4.47 57.84 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -176.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.8 m -136.26 132.51 35.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.9 t -82.12 105.37 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.679 0.276 . . . . 0.0 110.873 -178.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -76.55 136.13 39.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.841 172.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -100.15 -19.0 16.66 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.355 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.59 74.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 111.107 -176.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -72.43 -48.81 38.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.202 178.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.718 ' HA ' HD23 ' A' ' 97' ' ' LEU . 14.8 m -55.89 -43.67 77.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.143 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.429 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 61.5 t30 -70.19 -39.59 75.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.997 0.427 . . . . 0.0 110.806 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.66 -45.83 88.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.102 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.558 HG21 HD21 ' A' ' 97' ' ' LEU . 58.1 t -61.41 -35.03 63.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.8 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 25.1 mmt -69.99 -41.73 74.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.006 -177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 26.7 mm-40 -68.37 -36.75 79.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.585 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 116' ' ' VAL . 27.9 mt -59.8 -51.89 67.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.086 177.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 79' ' ' ALA . 12.1 p -70.63 -36.72 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.696 -175.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -69.92 -31.54 69.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.62 0.247 . . . . 0.0 110.642 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -66.19 -45.4 80.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.3 mt -73.38 -20.83 60.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.439 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.2 t -99.81 12.85 35.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.002 0.429 . . . . 0.0 110.349 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -92.62 25.43 3.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.217 0.532 . . . . 0.0 111.598 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -103.9 68.73 0.92 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.494 0.664 . . . . 0.0 109.666 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 36.7 m -112.28 130.84 55.8 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.382 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -132.01 39.38 3.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.143 0.497 . . . . 0.0 110.958 -174.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -90.53 103.3 16.01 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.57 120.17 20.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.452 0.644 . . . . 0.0 110.427 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 30.7 m -78.3 -13.4 13.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.882 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.1 m -65.05 103.92 0.81 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 174.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 7.8 m . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.234 -173.212 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.519 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -82.33 93.02 7.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.844 0.354 . . . . 0.0 110.207 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.59 -40.85 14.17 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.146 -0.549 . . . . 0.0 111.848 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -94.84 96.9 9.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.841 0.829 . . . . 0.0 110.1 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -98.96 171.29 8.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.402 -178.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.509 ' HB2' ' HD2' ' B' ' 7' ' ' PRO . 0.7 OUTLIER -145.41 165.77 20.27 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.438 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.509 ' HD2' ' HB2' ' B' ' 6' ' ' GLN . 10.0 Cg_endo -52.68 140.62 55.8 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.325 2.017 . . . . 0.0 111.317 173.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.457 ' CG2' HG21 ' B' ' 105' ' ' THR . 12.3 pt -74.95 4.11 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -171.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -77.86 10.97 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.005 0.431 . . . . 0.0 111.491 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 5.3 p -66.54 -28.37 68.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.519 0.676 . . . . 0.0 109.379 169.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -120.65 115.77 32.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.29 174.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -70.06 -33.44 15.46 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.433 2.089 . . . . 0.0 113.097 -172.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -76.08 -40.97 51.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.079 0.466 . . . . 0.0 110.299 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.75 -41.65 87.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.514 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -35.35 80.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.727 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.7 ttm -61.42 -25.52 67.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.849 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 47.3 m -65.19 -36.56 84.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.175 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.494 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -64.97 -42.78 94.27 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -43.84 95.09 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.606 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -62.82 -43.23 99.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.557 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -65.67 -38.19 88.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.092 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.723 HD21 HD12 ' B' ' 97' ' ' LEU . 31.4 mt -56.82 -43.43 80.99 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.213 177.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.94 -39.22 84.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.78 0.324 . . . . 0.0 110.696 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -67.82 -36.96 81.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.578 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 30.8 p -80.71 -38.11 29.43 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.655 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.4 85.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 111.331 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 32.9 t -65.21 -25.57 67.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.613 -175.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -97.79 1.44 48.35 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.49 -176.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 89.2 p -81.97 -51.12 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.542 -177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.48 3.53 62.88 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.774 -177.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.432 ' HB ' HD12 ' B' ' 32' ' ' LEU . 5.6 t -85.39 -36.53 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.246 0.546 . . . . 0.0 110.569 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.432 HD12 ' HB ' ' B' ' 31' ' ' VAL . 6.0 mp -91.29 151.13 21.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.796 -176.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 67.4 p -87.47 170.4 11.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.892 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.03 -30.8 71.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.152 0.501 . . . . 0.0 110.559 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.9 -57.45 11.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.579 177.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.707 ' HB3' HG13 ' B' ' 77' ' ' VAL . 46.9 mt-30 -60.9 -41.56 96.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.514 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 68.4 mmm -64.04 -34.31 77.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.818 -177.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.427 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 14.5 t70 -69.78 -38.27 76.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' B' ' 42' ' ' MET . 55.7 m-20 -60.74 -43.33 98.08 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.255 0.55 . . . . 0.0 110.412 176.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.472 ' O ' ' HB3' ' B' ' 43' ' ' MET . 84.5 mtp -66.99 -31.42 71.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.028 0.442 . . . . 0.0 110.646 178.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.96 -45.92 84.77 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.077 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.679 ' SD ' ' HG3' ' A' ' 62' ' ' ARG . 24.7 ptt? -67.24 -26.79 66.76 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.78 0.324 . . . . 0.0 110.304 177.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . 0.472 ' HB3' ' O ' ' B' ' 40' ' ' MET . 47.8 ttp -58.38 -53.61 56.41 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.021 0.438 . . . . 0.0 110.372 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.29 93.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.07 -40.34 78.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.698 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 22.4 p -64.25 -42.04 96.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.492 0.187 . . . . 0.0 110.987 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 43' ' ' MET . 46.6 t -62.66 -39.07 83.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.341 0.591 . . . . 0.0 109.818 175.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -64.94 -46.27 82.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.729 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 5.3 p -70.42 -26.86 63.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.587 -177.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -66.18 -37.91 86.77 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 174.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 42.7 mtp -68.78 -27.67 66.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.587 175.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.94 -30.28 70.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.148 0.499 . . . . 0.0 110.03 174.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -82.21 -47.79 12.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.357 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 62.0 mtm -75.22 -49.36 19.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.235 -176.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.84 -133.02 22.49 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.782 -175.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -80.63 157.11 21.64 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.931 2.421 . . . . 0.0 112.461 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 54.36 70.8 1.54 Allowed Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.893 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -81.53 156.01 18.76 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.069 1.846 . . . . 0.0 113.428 -176.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.461 ' HG2' ' HB2' ' B' ' 62' ' ' ARG . 55.8 Cg_endo -71.38 115.24 4.2 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 123.506 2.804 . . . . 0.0 111.771 176.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -55.67 -40.06 71.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.18 -176.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.805 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 29.3 p80 -64.99 -36.07 83.21 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.608 -176.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.461 ' HB2' ' HG2' ' B' ' 59' ' ' PRO . 72.8 mtt180 -66.34 -28.98 69.08 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.089 -0.644 . . . . 0.0 109.963 177.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.86 -36.13 67.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.886 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.805 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 23.9 ptt180 -64.65 -37.51 87.83 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.64 -42.02 52.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.025 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.513 ' HA ' ' HB3' ' B' ' 69' ' ' ALA . 90.7 mmm -66.84 -25.1 66.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.385 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.4 ' O ' ' HE1' ' B' ' 112' ' ' PHE . 7.1 t30 -52.37 -55.61 20.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.277 0.56 . . . . 0.0 110.09 173.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.58 ' HB ' ' HG2' ' A' ' 76' ' ' GLU . 17.4 m -80.13 -23.72 40.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.214 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' B' ' 66' ' ' MET . . . -58.34 -52.57 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.187 176.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 17.6 ttt -56.96 -43.96 82.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.485 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.67 88.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.598 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.81 -32.44 72.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.247 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 42.7 mt-10 -62.6 -46.89 86.2 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.43 ' O ' HG23 ' B' ' 78' ' ' VAL . 82.8 t -61.21 -44.86 99.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.443 175.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.53 91.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.225 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.486 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 25.5 tp10 -59.91 -42.18 93.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.638 176.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.707 HG13 ' HB3' ' B' ' 36' ' ' GLN . 75.4 t -63.81 -44.91 98.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.045 178.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 74' ' ' VAL . 65.5 t -69.4 -44.42 80.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.322 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.66 -33.47 76.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.805 0.336 . . . . 0.0 111.45 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . 0.64 HG21 ' HD2' ' A' ' 64' ' ' ARG . 16.7 m -85.24 77.84 9.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.316 0.579 . . . . 0.0 110.414 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 60.4 p -154.02 162.17 27.48 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.0 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -56.97 148.6 67.04 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.421 2.081 . . . . 0.0 111.324 173.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.69 -19.1 66.73 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.293 1.995 . . . . 0.0 111.812 -175.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -86.2 -20.76 28.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.256 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.413 ' O ' HG23 ' B' ' 89' ' ' VAL . 18.3 t -107.48 -23.83 12.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.089 -175.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -43.99 -59.2 2.4 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.187 0.517 . . . . 0.0 112.154 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m -58.58 -32.36 68.88 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.58 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.81 -46.3 31.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.595 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.429 HG22 HG12 ' B' ' 31' ' ' VAL . 58.1 t -58.69 -44.55 90.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.271 0.558 . . . . 0.0 109.914 177.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -56.98 -50.56 72.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.492 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -63.12 -38.03 89.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.138 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 61.7 m -63.32 -48.48 77.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.363 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.7 mm -65.65 -46.5 89.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.1 -37.72 92.06 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.547 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.49 -42.76 70.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 178.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 46.4 t -71.03 -27.37 63.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.843 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.723 HD12 HD21 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -55.49 -46.33 76.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.045 177.031 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.56 ' HG3' HG21 ' B' ' 108' ' ' VAL . 38.7 ttp180 -60.3 -50.56 73.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.958 178.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -59.06 -50.28 74.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.99 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 73.1 m -54.5 -42.88 71.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.972 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.556 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 15.6 mmt -65.99 -43.1 88.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.811 0.338 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 46.8 tpp -62.09 -38.72 89.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.963 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -83.32 -17.49 42.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.8 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.45 -53.09 4.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.817 0.341 . . . . 0.0 111.693 -177.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.457 HG21 ' CG2' ' B' ' 8' ' ' ILE . 67.7 p -109.7 -43.01 4.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.685 -173.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.92 -11.82 7.76 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 68.2 m -130.83 142.69 50.4 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.56 HG21 ' HG3' ' B' ' 98' ' ' ARG . 3.7 p -91.45 104.99 16.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.502 0.668 . . . . 0.0 111.01 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -71.56 129.67 39.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.52 177.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.26 -24.81 23.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.631 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.74 -54.41 45.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.966 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.456 ' O ' HG23 ' B' ' 116' ' ' VAL . 76.9 t80 -66.89 -46.04 76.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.445 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.58 ' HA ' HD23 ' B' ' 97' ' ' LEU . 59.8 m -56.61 -44.13 80.83 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.315 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . 0.556 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 65.6 t30 -72.72 -38.05 67.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.608 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.81 -41.98 92.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.383 -178.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 112' ' ' PHE . 58.4 t -59.53 -39.26 78.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.127 0.489 . . . . 0.0 109.992 177.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 20.2 mmt -67.06 -44.85 79.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.079 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 44.4 mt-30 -57.52 -43.1 84.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.757 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.92 -51.25 67.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.452 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.0 p -72.18 -32.33 42.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.511 -174.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' B' ' 125' ' ' ALA . 58.0 mtpt -75.01 -7.94 55.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.0 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -100.32 -50.82 3.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.931 0.396 . . . . 0.0 110.538 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.79 -38.67 86.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.868 -176.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 33.1 t -97.8 13.9 28.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.172 -176.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' B' ' 121' ' ' LYS . . . -98.34 27.68 4.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.185 0.517 . . . . 0.0 111.564 -176.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -90.64 90.19 7.86 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.969 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 70.5 m -154.26 107.63 2.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.207 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -103.07 40.52 1.38 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.355 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -58.43 139.99 54.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.733 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.46 142.45 53.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.645 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 34.6 m -102.45 7.94 9.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.249 0.547 . . . . 0.0 110.715 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 20.1 t -68.76 103.02 1.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.533 176.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.337 -176.052 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.757 -0.537 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.8 m -154.25 -166.56 2.39 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.15 -87.14 1.36 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -176.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -105.52 128.02 53.34 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 171.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -155.54 155.68 33.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.818 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -71.19 143.99 89.14 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -47.32 122.21 6.29 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.082 2.521 . . . . 0.0 112.879 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.836 ' HB ' HG21 ' A' ' 105' ' ' THR . 2.7 pp -67.84 -7.15 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.915 -175.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.401 ' CE2' ' HA ' ' A' ' 67' ' ' ASN . 75.3 m95 -71.9 8.74 1.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.871 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.5 m -65.34 -23.58 67.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.307 0.575 . . . . 0.0 109.485 172.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -122.19 114.2 30.75 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.02 176.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -70.78 -33.95 11.93 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.735 2.29 . . . . 0.0 112.715 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -68.21 -41.99 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.428 . . . . 0.0 109.866 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.41 95.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.713 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.35 99.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.657 177.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.1 ttm -62.53 -29.84 70.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.531 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.8 m -65.05 -36.78 85.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.966 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.466 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 0.2 OUTLIER -65.48 -42.08 92.6 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 176.621 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -44.87 95.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.348 176.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -64.04 -44.17 93.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.824 178.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -59.4 -40.53 86.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.695 HD21 HD12 ' A' ' 97' ' ' LEU . 29.2 mt -62.28 -42.02 98.99 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.174 -0.211 . . . . 0.0 111.325 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.42 -44.8 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.681 0.277 . . . . 0.0 110.62 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -62.23 -45.78 91.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.073 0.463 . . . . 0.0 110.069 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.6 t -60.73 -42.67 97.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.508 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -68.23 -41.67 80.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.094 0.473 . . . . 0.0 111.255 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 t -67.7 -33.63 75.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.139 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -86.33 -24.02 26.01 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.302 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.3 p -74.62 -41.89 59.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.075 0.464 . . . . 0.0 110.094 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.97 19.82 78.54 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.649 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.403 ' CG1' HD12 ' A' ' 32' ' ' LEU . 14.5 p -88.55 -18.24 8.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.064 0.459 . . . . 0.0 110.139 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.519 ' HB3' ' HB2' ' A' ' 36' ' ' GLN . 5.3 mp -95.72 152.16 18.71 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.548 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.3 p -85.46 178.42 7.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.298 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -43.13 91.63 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.795 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.973 ' HB3' HH22 ' B' ' 64' ' ' ARG . 1.1 m-20 -52.43 -58.5 6.52 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.906 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.567 ' HB3' HG13 ' A' ' 77' ' ' VAL . 48.4 mt-30 -60.08 -46.98 87.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.149 -175.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 74.6 mmm -59.99 -46.18 90.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.826 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.403 ' OD2' ' HE1' ' B' ' 61' ' ' HIS . 29.4 t70 -68.23 -33.92 75.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.019 0.438 . . . . 0.0 111.077 -174.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.483 ' HA ' ' NH1' ' B' ' 62' ' ' ARG . 65.6 m-20 -71.64 -35.42 70.39 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.814 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' A' ' 43' ' ' MET . 92.5 mtp -65.05 -34.27 78.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.014 0.435 . . . . 0.0 110.185 174.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.79 -40.82 99.33 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.655 174.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.444 ' SD ' ' HG3' ' B' ' 62' ' ' ARG . 53.3 ttp -64.0 -35.42 80.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 110.693 176.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.486 ' O ' HG23 ' A' ' 47' ' ' VAL . 43.6 ttp -58.44 -46.13 87.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 177.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.01 -37.94 89.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.972 0.415 . . . . 0.0 110.773 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.48 -38.76 77.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.49 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 p -66.67 -39.87 88.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.685 0.278 . . . . 0.0 111.042 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 43' ' ' MET . 41.6 t -65.67 -35.63 75.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.253 0.549 . . . . 0.0 109.957 175.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -72.01 -48.89 41.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.575 -177.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.499 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 8.1 p -62.61 -40.14 96.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.581 -175.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.536 ' HB3' ' HE2' ' A' ' 54' ' ' MET . 92.5 mt-30 -58.2 -39.37 78.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.855 0.36 . . . . 0.0 110.894 177.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 88.0 mmm -62.63 -49.25 75.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.27 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -70.44 -21.15 62.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.382 -177.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 49' ' ' SER . 41.1 mtpt -78.81 -47.46 16.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.387 176.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.536 ' HE2' ' HB3' ' A' ' 50' ' ' GLN . 74.3 mtm -79.79 -55.4 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.809 -174.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 142.31 -159.8 27.17 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.109 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -84.28 -14.02 7.22 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.638 2.225 . . . . 0.0 113.07 -176.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -135.5 81.72 41.65 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-O 121.15 0.5 . . . . 0.0 110.699 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -63.18 158.53 43.72 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.994 2.463 . . . . 0.0 112.398 173.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.539 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 40.7 Cg_endo -66.96 154.96 72.89 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.947 2.431 . . . . 0.0 112.258 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 28.1 mm-40 -58.07 -43.2 86.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.161 -177.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.62 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 30.3 p80 -60.8 -35.15 75.75 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.865 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.539 ' HB2' ' HG2' ' A' ' 59' ' ' PRO . 3.0 tmt_? -66.14 -38.95 89.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.799 0.333 . . . . 0.0 110.343 -177.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.96 -49.98 70.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.369 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.62 ' HE ' ' HA ' ' A' ' 61' ' ' HIS . 10.1 ptt180 -72.37 -21.05 61.35 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.924 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.896 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -76.35 -51.15 12.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.935 0.397 . . . . 0.0 110.691 175.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.527 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 99.7 mmm -63.73 -22.06 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.293 -177.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.401 ' HA ' ' CE2' ' A' ' 9' ' ' TRP . 41.6 t30 -50.85 -53.24 33.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.127 0.489 . . . . 0.0 109.992 170.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 57.3 m -76.85 -33.06 57.92 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.072 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.527 ' HB3' ' HA ' ' A' ' 66' ' ' MET . . . -60.79 -54.68 42.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.654 0.264 . . . . 0.0 111.304 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.41 ' HE2' ' CZ ' ' A' ' 112' ' ' PHE . 20.7 ttt -59.38 -44.22 92.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.48 178.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.96 99.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.129 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.416 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -64.14 -38.09 89.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.019 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -62.04 -48.82 78.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.689 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 78' ' ' VAL . 73.1 t -58.95 -45.73 91.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.827 0.346 . . . . 0.0 110.629 177.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.89 -43.47 98.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.378 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.76 -45.73 91.35 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.567 HG13 ' HB3' ' A' ' 36' ' ' GLN . 39.3 t -58.03 -50.76 76.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.37 177.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 74' ' ' VAL . 95.6 t -61.69 -45.08 99.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.647 0.261 . . . . 0.0 111.384 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HB2' HG23 ' A' ' 120' ' ' VAL . . . -64.01 -19.61 65.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.59 -178.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.3 m -91.22 69.18 6.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.256 0.55 . . . . 0.0 110.199 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 56.9 p -152.33 152.99 30.26 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.416 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.01 143.11 99.19 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.284 1.989 . . . . 0.0 111.241 175.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.35 -24.74 36.15 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.227 2.618 . . . . 0.0 112.419 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -60.23 -50.04 75.22 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.569 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.5 m -107.07 4.23 26.72 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.909 -173.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -55.47 -48.75 74.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 110.787 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.3 t -62.24 -38.91 91.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.549 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.66 -48.99 72.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.9 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.13 -46.41 96.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.946 0.403 . . . . 0.0 110.199 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -57.83 -50.09 74.45 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.493 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -58.57 -43.97 89.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.08 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.3 m -59.42 -50.37 74.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.37 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.46 HG23 HD13 ' A' ' 97' ' ' LEU . 1.5 mm -66.8 -48.97 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.073 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.48 -32.23 82.4 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.934 -0.651 . . . . 0.0 113.213 -176.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.54 -38.21 26.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.669 -0.313 . . . . 0.0 110.905 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.0 t -77.18 -25.11 51.49 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.695 HD12 HD21 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -50.55 -53.32 31.25 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.146 176.423 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -57.26 -50.06 74.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.138 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 7.0 mm-40 -64.28 -47.1 80.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.97 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 61.9 m -51.34 -39.86 57.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.402 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.466 ' SD ' ' HG3' ' A' ' 18' ' ' MET . 15.0 mmt -64.38 -44.71 90.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.829 0.347 . . . . 0.0 110.761 177.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.4 ttm -70.24 -26.27 63.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.988 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 32.2 mm-40 -77.68 -35.87 51.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.132 0.491 . . . . 0.0 110.194 177.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.76 -68.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.374 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.836 HG21 ' HB ' ' A' ' 8' ' ' ILE . 72.0 p -89.49 -40.26 12.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.189 0.518 . . . . 0.0 110.869 -176.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.58 -1.77 30.7 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -176.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.5 m -129.82 134.3 47.47 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 63.9 t -75.78 101.95 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.938 0.399 . . . . 0.0 110.976 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -75.58 101.39 4.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.318 175.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -76.58 -20.68 56.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.812 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.66 -52.43 57.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.834 0.35 . . . . 0.0 110.496 -178.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.41 ' CZ ' ' HE2' ' A' ' 70' ' ' MET . 79.2 t80 -66.82 -49.27 66.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.212 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.65 ' HA ' HD23 ' A' ' 97' ' ' LEU . 28.6 m -55.08 -44.88 75.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.718 -178.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -66.99 -42.92 84.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.729 0.299 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.21 -41.63 89.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 -175.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 82.5 t -58.2 -40.45 77.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.902 0.382 . . . . 0.0 110.973 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 8.6 mmt -69.95 -37.95 75.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.226 -176.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -70.4 -40.9 73.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.487 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 72' ' ' ALA . 13.9 mt -58.69 -47.7 83.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.344 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.468 HG23 ' HB2' ' A' ' 79' ' ' ALA . 14.4 p -71.71 -36.42 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.962 -176.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -66.1 -33.82 76.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.643 0.259 . . . . 0.0 110.783 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 37.4 ttp -68.63 -39.0 80.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 83.4 mt -74.42 -32.35 62.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.205 0.526 . . . . 0.0 111.007 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 57.9 m -91.51 12.64 20.16 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.177 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -88.05 103.33 15.62 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 120.999 0.428 . . . . 0.0 110.499 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -129.81 128.23 41.92 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.632 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.1 p -64.89 113.7 4.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.134 0.493 . . . . 0.0 111.046 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.01 32.72 0.98 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.17 -174.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -67.35 108.63 2.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.44 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.02 117.12 27.81 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 121.89 0.852 . . . . 0.0 110.317 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 10.9 t -85.08 -34.22 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 114.419 -1.264 . . . . 0.0 110.76 -170.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.5 t -85.64 176.74 8.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.857 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.365 -178.077 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.004 -0.438 . . . . 0.0 112.004 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.8 m -148.31 139.35 23.2 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.14 -158.85 27.13 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.186 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . 0.41 HD22 ' N ' ' B' ' 4' ' ' ASN . 0.1 OUTLIER -59.42 124.43 20.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.47 0.652 . . . . 0.0 110.898 178.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -138.58 172.26 13.14 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.898 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -68.89 145.45 96.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 175.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -49.06 113.28 0.85 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.952 2.435 . . . . 0.0 112.324 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.87 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.5 pp -69.24 -3.07 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.65 -175.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.512 ' O ' HD13 ' B' ' 63' ' ' LEU . 87.3 m95 -79.7 12.19 2.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.425 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.5 m -60.08 -30.0 68.94 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.519 0.676 . . . . 0.0 109.702 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -130.46 111.16 16.43 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.457 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -67.2 -26.36 42.35 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.085 2.523 . . . . 0.0 112.409 -173.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -67.38 -36.79 82.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.123 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.37 -42.03 65.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.256 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.65 97.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.642 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 43.1 ttm -63.48 -27.24 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.519 177.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 63.2 m -67.28 -37.21 83.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.192 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.486 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.3 OUTLIER -62.64 -39.53 94.16 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 175.739 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -63.0 -47.29 83.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.804 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -67.12 -39.91 86.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.981 -178.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -61.82 -36.92 82.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.985 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.695 HD21 HD12 ' B' ' 97' ' ' LEU . 54.5 mt -59.73 -47.29 86.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.065 177.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.453 HG22 ' HB3' ' B' ' 40' ' ' MET . 90.5 t -61.72 -45.39 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.962 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.451 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 48.1 mt-30 -61.48 -42.68 99.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.038 0.447 . . . . 0.0 110.193 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 31.1 t -64.32 -41.81 96.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.823 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.534 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -63.6 -37.23 86.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.947 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 39.8 t -70.34 -21.61 62.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.715 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' B' ' 24' ' ' GLN . 53.5 mtp180 -80.79 -35.5 33.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.827 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.9 p -80.39 -48.13 13.37 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.981 -177.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.91 23.33 78.15 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.07 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.1 p -88.24 -5.67 10.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.625 0.726 . . . . 0.0 109.963 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.534 HD13 ' HB1' ' B' ' 26' ' ' ALA . 4.9 mp -104.57 160.87 14.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.568 -178.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 35.0 p -89.21 173.6 8.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.804 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.08 96.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.745 0.307 . . . . 0.0 110.738 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.576 ' OD2' ' HB3' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -54.84 -48.83 72.36 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.756 175.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.662 ' HB3' HG13 ' B' ' 77' ' ' VAL . 27.0 mt-30 -68.11 -44.44 76.17 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.255 -177.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 80.7 mmm -63.01 -45.69 91.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.641 0.257 . . . . 0.0 111.229 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -69.42 -25.52 64.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.353 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -72.91 -44.06 61.7 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.203 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.453 ' HB3' HG22 ' B' ' 23' ' ' VAL . 88.6 mtp -61.99 -38.76 89.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.255 176.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.95 -42.48 96.83 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.436 175.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -60.27 -42.61 95.77 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.836 0.35 . . . . 0.0 110.293 175.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . . . . . . . . . 39.6 ttp -54.79 -52.05 63.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.089 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.92 95.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.53 -34.08 77.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.209 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 65.1 m -62.13 -50.49 71.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.584 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 24.3 t -58.58 -42.36 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 121.372 0.606 . . . . 0.0 109.825 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -60.29 -47.32 86.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.088 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.448 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 20.5 m -69.56 -43.26 73.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.27 -178.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -58.83 -41.6 87.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.656 0.265 . . . . 0.0 111.046 178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -57.0 -48.61 78.05 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.079 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.435 HE21 ' HA ' ' B' ' 49' ' ' SER . 26.5 pt20 -82.77 -7.91 59.62 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -176.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 49' ' ' SER . 9.6 mtpm? -81.03 -9.78 59.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.327 0.584 . . . . 0.0 109.926 170.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . 0.556 ' SD ' ' HG2' ' B' ' 62' ' ' ARG . 74.9 mtm -112.21 -172.52 2.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.587 177.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.75 179.7 51.29 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.373 -0.917 . . . . 0.0 111.906 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.6 -14.36 39.37 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.512 2.141 . . . . 0.0 112.456 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -128.91 84.61 62.55 Favored Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.699 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.42 157.0 53.9 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.459 2.106 . . . . 0.0 112.712 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.658 ' HG2' ' HD3' ' B' ' 62' ' ' ARG . 31.6 Cg_endo -65.3 147.4 87.67 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.695 2.263 . . . . 0.0 111.907 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -66.57 -30.93 71.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.827 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.574 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 25.8 p80 -68.28 -20.4 64.78 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.227 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.658 ' HD3' ' HG2' ' B' ' 59' ' ' PRO . 2.9 mpt_? -68.64 -38.94 80.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.512 HD13 ' O ' ' B' ' 9' ' ' TRP . 75.9 mt -68.05 -39.86 82.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.934 -177.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.973 HH22 ' HB3' ' A' ' 35' ' ' ASP . 23.6 ptt180 -64.73 -39.37 93.52 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.708 0.289 . . . . 0.0 110.343 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.55 -38.45 65.23 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 111.046 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 86.5 mmm -68.8 -29.78 68.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.151 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.497 ' HA ' ' CZ2' ' B' ' 9' ' ' TRP . 7.7 t30 -54.88 -50.56 68.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.228 0.537 . . . . 0.0 110.225 175.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.416 HG22 ' HB1' ' A' ' 72' ' ' ALA . 18.3 m -70.86 -35.77 72.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.963 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.83 -51.33 67.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.842 0.353 . . . . 0.0 111.328 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.0 ttt -60.67 -47.0 88.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.717 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.39 98.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.221 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.01 94.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.082 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.449 ' O ' HG23 ' B' ' 77' ' ' VAL . 24.8 mm-40 -62.41 -48.46 79.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.146 178.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.477 ' O ' HG23 ' B' ' 78' ' ' VAL . 58.7 t -57.72 -45.35 86.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.968 0.413 . . . . 0.0 110.539 176.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.93 96.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.784 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.896 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 18.4 tp10 -57.51 -49.7 75.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.256 176.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.662 HG13 ' HB3' ' B' ' 36' ' ' GLN . 54.1 t -52.1 -49.61 38.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.954 178.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.477 HG23 ' O ' ' B' ' 74' ' ' VAL . 58.4 t -64.13 -41.35 92.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.07 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.38 2.02 26.61 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 39.1 m -92.12 -11.61 35.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.215 0.531 . . . . 0.0 110.259 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 89.6 p -74.5 160.6 80.79 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.46 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . 0.454 ' HB2' ' HG2' ' B' ' 84' ' ' GLN . 18.8 Cg_exo -66.31 146.27 80.36 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.217 1.945 . . . . 0.0 110.557 173.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -55.19 -32.23 79.39 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.552 2.168 . . . . 0.0 111.988 -176.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.454 ' HG2' ' HB2' ' B' ' 82' ' ' PRO . 13.8 pt20 -66.41 -17.9 65.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.002 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.401 ' O ' HG23 ' B' ' 89' ' ' VAL . 68.2 m -123.5 4.75 8.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 -177.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . 0.532 ' OH ' HG22 ' B' ' 120' ' ' VAL . 38.4 t80 -55.01 -58.09 9.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.416 -176.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 69.9 m -61.61 -35.41 77.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.461 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.28 96.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.927 0.394 . . . . 0.0 110.551 178.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 85' ' ' SER . 56.8 t -70.14 -45.36 76.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.196 177.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -57.59 -50.98 71.33 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.709 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -58.99 -36.17 74.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.969 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 87.9 m -67.53 -50.56 58.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.805 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.476 HG23 HD13 ' B' ' 97' ' ' LEU . 1.4 mm -64.93 -46.65 91.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.956 178.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.77 -40.88 97.22 Favored Glycine 0 CA--C 1.518 0.223 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.853 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.25 -35.48 66.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.791 0.329 . . . . 0.0 111.301 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.79 -14.95 40.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.845 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.695 HD12 HD21 ' B' ' 22' ' ' LEU . 1.0 OUTLIER -56.77 -47.07 80.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.473 0.654 . . . . 0.0 109.516 171.204 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.403 ' HG3' HG21 ' B' ' 108' ' ' VAL . 53.2 ttt180 -58.46 -49.67 76.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.583 176.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -58.85 -48.25 82.0 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.912 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . 0.439 ' HB3' ' HG2' ' B' ' 18' ' ' MET . 66.7 m -55.09 -46.2 75.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.697 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.448 ' HB3' ' O ' ' B' ' 107' ' ' SER . 18.9 mmt -62.63 -39.07 92.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.94 0.4 . . . . 0.0 111.13 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . 0.447 ' O ' ' HA2' ' B' ' 106' ' ' GLY . 7.1 ttm -68.19 -24.63 64.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.556 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -96.78 -20.54 18.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.044 0.45 . . . . 0.0 111.407 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.11 -57.33 3.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.894 0.378 . . . . 0.0 110.993 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.87 HG21 ' HB ' ' B' ' 8' ' ' ILE . 64.3 p -107.12 -26.79 10.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 0.0 110.745 -178.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' B' ' 102' ' ' MET . . . 99.87 -0.09 56.37 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -176.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' B' ' 101' ' ' MET . 17.0 m -135.5 135.16 40.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.485 -0.358 . . . . 0.0 110.129 -177.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.403 HG21 ' HG3' ' B' ' 98' ' ' ARG . 53.0 t -88.19 102.6 12.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.788 0.328 . . . . 0.0 110.608 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -78.27 133.59 37.66 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.868 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -91.66 -21.33 20.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.48 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.59 -52.44 60.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.646 0.26 . . . . 0.0 110.688 -176.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.468 ' O ' HG23 ' B' ' 116' ' ' VAL . 83.3 t80 -67.23 -50.2 61.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.342 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.594 ' HA ' HD23 ' B' ' 97' ' ' LEU . 43.2 m -55.14 -44.45 75.09 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.286 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 13.2 t30 -69.75 -38.15 76.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.818 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.454 ' HA ' HE21 ' B' ' 118' ' ' GLN . 12.0 tp10 -62.47 -42.17 99.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.626 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 112' ' ' PHE . 57.7 t -58.16 -41.03 79.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.025 0.441 . . . . 0.0 110.384 176.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 26.5 mmt -64.63 -43.15 94.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.505 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 37.9 mt-30 -62.3 -45.58 92.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.995 0.426 . . . . 0.0 110.337 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' B' ' 123' ' ' LEU . 15.8 mt -55.84 -51.48 67.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.395 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . 0.532 HG22 ' OH ' ' B' ' 86' ' ' TYR . 11.4 p -69.35 -36.25 71.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.242 -174.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -64.36 -39.1 93.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.973 0.416 . . . . 0.0 110.375 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 37.0 ttp -68.29 -38.54 81.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.063 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' B' ' 119' ' ' LEU . 86.9 mt -65.98 -29.43 69.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.029 0.443 . . . . 0.0 110.645 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 23.9 t -94.84 7.42 46.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.735 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -87.57 31.53 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.229 0.538 . . . . 0.0 111.496 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.19 122.09 16.29 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.158 175.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 32.6 m -66.45 125.48 25.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.646 -178.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -146.95 63.74 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.066 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -76.76 117.81 18.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -79.05 125.07 28.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.731 0.777 . . . . 0.0 111.041 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 1.9 t -97.38 -5.3 9.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.156 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 15.5 m -91.68 135.08 34.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.362 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.556 -0.735 . . . . 0.0 109.706 176.164 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 112.708 -0.157 . . . . 0.0 112.708 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -86.33 137.64 32.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.672 0.272 . . . . 0.0 111.12 -175.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.75 140.59 8.17 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.253 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -67.86 -61.61 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.007 0.432 . . . . 0.0 110.77 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -84.86 132.18 34.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.964 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.451 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 49.8 mt-30 -118.28 124.78 28.34 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -176.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.485 ' HB2' ' HD1' ' A' ' 9' ' ' TRP . 2.3 Cg_endo -85.66 -159.95 0.1 Allowed 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.067 2.511 . . . . 0.0 110.736 172.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.418 HD13 ' SD ' ' A' ' 101' ' ' MET . 7.4 pt -83.69 17.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.133 0.492 . . . . 0.0 111.225 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.621 ' CH2' ' HG2' ' A' ' 66' ' ' MET . 77.0 m95 -88.33 31.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.438 -177.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.3 m -64.39 -38.78 92.24 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 171.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -132.28 136.88 28.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.543 174.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.53 -33.99 44.16 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.831 2.354 . . . . 0.0 112.738 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -71.94 -33.27 68.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 110.572 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.39 76.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.236 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.17 93.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.832 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.0 ttm -60.56 -26.77 67.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.063 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.5 m -65.58 -35.57 81.21 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.969 0.414 . . . . 0.0 110.302 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.82 -39.93 79.77 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 176.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -61.52 -42.47 98.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.929 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -68.77 -42.68 77.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.146 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -64.5 -34.36 78.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.496 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.716 HD21 HD12 ' A' ' 97' ' ' LEU . 32.1 mt -58.72 -39.35 80.6 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.89 0.376 . . . . 0.0 110.964 176.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.2 t -70.15 -36.98 70.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.062 0.458 . . . . 0.0 110.382 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -68.1 -45.45 73.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.56 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 29.2 p -68.81 -34.6 75.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.719 -179.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.522 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -65.65 -40.7 92.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.153 0.502 . . . . 0.0 111.051 175.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.5 t -69.38 -34.62 74.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.045 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.56 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 12.5 ptm180 -85.24 -11.0 55.89 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.249 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 p -90.84 -41.78 11.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.958 0.408 . . . . 0.0 109.95 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.68 23.15 78.02 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.466 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.403 ' CG1' HD12 ' A' ' 32' ' ' LEU . 13.7 p -88.0 -17.0 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.264 0.554 . . . . 0.0 110.424 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.522 HD13 ' HB1' ' A' ' 26' ' ' ALA . 5.2 mp -95.39 161.56 14.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.46 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.9 p -93.41 176.64 6.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.59 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.26 83.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.651 0.262 . . . . 0.0 111.211 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -59.35 -54.1 50.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.194 0.521 . . . . 0.0 109.737 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.635 ' HB3' HG13 ' A' ' 77' ' ' VAL . 50.1 mt-30 -60.42 -46.23 90.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.047 -0.978 . . . . 0.0 111.406 -178.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 86.2 mmm -63.49 -34.25 77.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.581 -177.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -73.2 -34.92 66.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.448 -178.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 42' ' ' MET . 10.1 m-20 -65.2 -40.8 94.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.492 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.437 ' O ' ' HB3' ' A' ' 43' ' ' MET . 87.1 mtp -66.73 -36.4 82.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.952 0.406 . . . . 0.0 110.392 176.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.92 -45.72 93.38 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.676 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.587 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -74.24 -17.61 60.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.322 . . . . 0.0 110.372 179.443 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.437 ' HB3' ' O ' ' A' ' 40' ' ' MET . 49.3 ttp -65.02 -46.8 79.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.193 0.521 . . . . 0.0 109.723 172.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.86 -31.86 73.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.534 0.683 . . . . 0.0 109.962 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.587 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 21.4 t70 -67.58 -46.1 73.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.565 178.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.2 p -65.8 -42.1 91.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.479 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.541 HG13 ' SD ' ' A' ' 66' ' ' MET . 73.0 t -61.47 -42.73 95.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.133 177.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -66.53 -48.25 70.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.866 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.8 p -64.08 -44.1 93.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 110.971 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.552 ' OE1' ' HB3' ' B' ' 46' ' ' SER . 0.0 OUTLIER -59.84 -46.37 89.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.825 175.743 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' A' ' 47' ' ' VAL . 5.1 tmm? -56.27 -52.91 62.77 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.914 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -68.55 -26.25 65.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.692 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -71.88 -22.99 61.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.064 0.459 . . . . 0.0 111.01 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 73.5 mtm -92.15 -35.14 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.231 0.538 . . . . 0.0 110.041 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.25 -173.38 25.18 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.151 176.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.36 137.8 62.46 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.623 2.216 . . . . 0.0 111.8 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.5 m120 56.11 71.86 1.12 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.389 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -75.51 163.04 34.93 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 123.149 2.566 . . . . 0.0 112.533 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -65.46 143.98 77.92 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.657 2.238 . . . . 0.0 112.449 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.468 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 21.1 mt-30 -79.8 -29.08 40.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.349 -172.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.445 ' HE1' ' OD2' ' B' ' 38' ' ' ASP . 26.1 p80 -61.8 -38.03 86.58 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.142 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.423 ' HG3' ' CE1' ' A' ' 61' ' ' HIS . 63.8 mtt180 -68.91 -31.15 69.85 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.109 176.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.6 -31.33 71.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.135 176.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 57.4 mtm180 -59.98 -55.24 36.44 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.64 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -63.45 -36.21 82.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.3 -178.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.621 ' HG2' ' CH2' ' A' ' 9' ' ' TRP . 33.5 ttm -69.19 -33.57 73.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.421 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -54.67 -50.92 67.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.091 0.472 . . . . 0.0 110.562 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.546 HG22 ' HB1' ' B' ' 72' ' ' ALA . 6.7 m -72.12 -29.21 63.84 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.782 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.24 -53.51 55.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.841 0.353 . . . . 0.0 110.252 175.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.8 ttt -57.75 -45.68 85.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.78 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.16 97.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.573 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.553 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -71.58 -33.23 68.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.43 -178.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 41.5 mt-10 -60.03 -46.22 90.22 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 176.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.67 -45.93 96.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.669 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.71 94.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.963 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 21.5 tp10 -57.79 -48.29 80.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.366 176.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.635 HG13 ' HB3' ' A' ' 36' ' ' GLN . 56.9 t -57.92 -45.3 87.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.56 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -77.59 -47.19 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.801 -175.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.441 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . . . -64.54 -43.83 92.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.788 0.328 . . . . 0.0 111.786 -174.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.2 m -87.71 72.95 9.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.477 0.656 . . . . 0.0 110.612 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.485 ' HB2' ' HD2' ' A' ' 82' ' ' PRO . 59.5 p -137.67 174.48 4.29 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.107 -0.951 . . . . 0.0 108.91 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.485 ' HD2' ' HB2' ' A' ' 81' ' ' SER . 46.6 Cg_exo -56.96 139.72 90.45 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 121.898 1.732 . . . . 0.0 110.831 173.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.05 -12.03 33.65 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.37 2.047 . . . . 0.0 112.371 -172.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -96.48 -14.71 22.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.078 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 t -108.92 -16.49 14.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.8 -176.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.441 ' CE1' ' HA ' ' A' ' 79' ' ' ALA . 45.3 t80 -49.64 -51.4 38.03 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.021 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.8 t -64.17 -32.87 74.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.748 0.308 . . . . 0.0 110.979 -177.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.29 -45.05 50.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.623 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.1 t -63.5 -43.63 98.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.116 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.08 -49.93 76.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.509 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -58.93 -36.53 74.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.683 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.6 m -65.93 -49.69 67.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.287 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.465 HD13 ' HA ' ' A' ' 93' ' ' ILE . 2.3 mm -66.12 -45.7 89.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.511 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.48 -35.2 90.7 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.754 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.16 -40.24 53.0 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.832 0.348 . . . . 0.0 110.371 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.506 ' SG ' HD23 ' A' ' 22' ' ' LEU . 47.6 t -67.67 -33.94 75.93 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -178.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.716 HD12 HD21 ' A' ' 22' ' ' LEU . 1.5 mp -51.64 -46.42 63.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.091 0.472 . . . . 0.0 110.94 177.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 45.3 ttt-85 -63.38 -51.3 66.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.467 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 103' ' ' GLN . 13.8 mm-40 -62.72 -47.46 83.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.173 -178.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.9 m -55.57 -39.27 70.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.701 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.418 ' SD ' HD13 ' A' ' 8' ' ' ILE . 15.7 mmt -65.93 -40.87 91.78 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.613 177.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 34.3 ttm -70.77 -29.39 65.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.14 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 87.1 mm-40 -80.22 -24.73 40.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.943 0.401 . . . . 0.0 110.581 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.43 -59.76 2.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.227 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 64.5 p -96.86 -41.05 8.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.907 0.384 . . . . 0.0 110.992 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 122.06 -15.94 8.8 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.683 -177.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 67.7 m -129.63 160.25 33.9 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.3 t -84.9 106.84 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.803 0.335 . . . . 0.0 111.314 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -78.95 114.99 18.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -90.18 -15.07 32.21 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 -177.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.68 -49.81 67.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.06 -176.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 116' ' ' VAL . 85.0 t80 -72.24 -46.95 53.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.351 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.623 ' HA ' HD23 ' A' ' 97' ' ' LEU . 24.9 m -58.24 -43.19 87.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.497 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 12.3 t30 -63.6 -39.49 94.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.749 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.61 -47.3 76.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.793 -176.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.563 ' HA ' HD12 ' A' ' 119' ' ' LEU . 53.8 t -60.01 -39.9 81.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.358 -177.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 28.3 mmt -64.69 -35.6 81.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -177.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 114' ' ' ASN . 36.8 mt-30 -74.68 -41.06 60.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.929 0.395 . . . . 0.0 110.003 177.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 116' ' ' VAL . 21.2 mt -55.91 -49.38 73.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.2 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.7 p -69.67 -33.07 54.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.125 -0.488 . . . . 0.0 112.0 -173.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -75.93 -26.74 57.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.786 0.326 . . . . 0.0 110.795 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.453 ' HE1' HD23 ' B' ' 119' ' ' LEU . 43.5 ttp -80.95 -40.72 24.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.175 176.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -33.71 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.493 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.7 t -81.27 6.1 15.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.552 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -89.5 98.78 11.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.962 0.411 . . . . 0.0 110.64 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -85.3 132.02 34.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.001 177.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.9 m -86.03 111.52 20.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.003 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.98 16.28 14.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.213 0.53 . . . . 0.0 110.596 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -75.91 175.21 9.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.452 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -81.05 71.62 8.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.001 0.429 . . . . 0.0 111.337 -175.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 29.1 m -97.99 -20.73 5.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.65 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.3 p -160.51 101.95 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.154 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.558 -177.644 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 111.959 -0.456 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.2 m -73.38 108.07 6.03 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.26 -133.13 2.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 121.233 -0.508 . . . . 0.0 111.872 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -153.57 -75.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 110.542 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -71.85 143.85 49.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.276 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -107.36 121.09 45.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.295 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.72 -168.15 0.53 Allowed 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.81 2.34 . . . . 0.0 111.46 174.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' B' ' 15' ' ' ALA . 1.2 pt -74.87 -5.01 6.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.901 0.382 . . . . 0.0 111.16 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -78.92 14.34 1.41 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.26 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -66.83 -34.34 77.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.17 0.51 . . . . 0.0 109.999 173.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -118.49 114.2 36.32 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.734 172.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -57.66 -34.09 97.62 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.758 2.305 . . . . 0.0 111.751 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -65.76 -43.44 88.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.597 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.95 -44.45 80.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.504 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.448 ' HA ' HD12 ' B' ' 8' ' ' ILE . . . -60.86 -42.45 97.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.758 177.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 43.6 ttm -63.34 -31.46 72.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.627 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 31.3 m -63.61 -35.66 81.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.048 0.452 . . . . 0.0 110.061 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 1.106 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -66.69 -43.21 85.01 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 176.029 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -61.75 -45.28 94.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.102 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' B' ' 24' ' ' GLN . 89.3 m-20 -66.6 -40.98 89.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.083 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -62.14 -36.74 82.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.094 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.61 HD21 HD12 ' B' ' 97' ' ' LEU . 31.1 mt -58.88 -46.68 87.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.944 0.402 . . . . 0.0 111.259 177.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 46.3 t -66.77 -36.02 76.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.912 0.387 . . . . 0.0 110.251 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.565 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 49.9 mt-30 -65.91 -50.99 62.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.095 177.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 21.5 p -66.7 -33.84 76.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.965 0.412 . . . . 0.0 110.674 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.71 -43.13 80.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.058 0.456 . . . . 0.0 110.459 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 48.3 t -60.6 -36.94 79.78 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.1 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 8.1 ptm180 -88.21 0.92 55.52 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 78.3 p -87.88 -41.54 13.14 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.186 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.52 11.25 84.33 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.068 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.52 HG12 HG22 ' B' ' 89' ' ' VAL . 6.9 t -89.81 -26.76 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.152 0.501 . . . . 0.0 110.247 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -95.51 151.31 19.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.886 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 34.5 p -88.65 178.48 6.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.607 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.08 -36.05 82.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.923 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -66.86 -51.36 56.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.468 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -58.04 -46.69 84.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.392 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . 0.423 ' O ' ' HG3' ' B' ' 40' ' ' MET . 60.7 mmm -63.64 -41.07 98.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.095 -177.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.445 ' OD2' ' HE1' ' A' ' 61' ' ' HIS . 37.8 t70 -73.88 -25.48 60.06 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.403 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -63.32 -57.03 11.72 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.083 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.55 ' O ' ' HB3' ' B' ' 43' ' ' MET . 0.1 OUTLIER -65.41 -28.45 69.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.487 176.332 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.08 -45.48 95.4 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 121.049 -0.596 . . . . 0.0 111.874 175.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.571 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 11.3 ptt? -75.64 -17.85 59.87 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . 0.55 ' HB3' ' O ' ' B' ' 40' ' ' MET . 50.5 ttp -60.13 -54.45 45.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.66 88.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.442 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.571 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 28.4 t70 -66.65 -39.27 88.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.966 -177.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.552 ' HB3' ' OE1' ' A' ' 50' ' ' GLN . 13.0 p -69.31 -44.07 72.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.575 0.226 . . . . 0.0 110.967 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.539 HG23 ' O ' ' B' ' 43' ' ' MET . 34.7 t -59.31 -41.12 83.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-O 121.434 0.635 . . . . 0.0 109.307 174.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -61.88 -56.18 22.02 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.591 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 11.2 p -66.7 -38.75 87.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.784 -175.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.55 -37.86 89.01 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.927 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 56.9 mmm -61.23 -39.57 90.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.496 176.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -63.72 -46.33 85.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.676 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' B' ' 53' ' ' LYS . 19.9 mtpp -60.84 -46.96 88.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.748 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . 0.424 ' SD ' ' HD3' ' B' ' 62' ' ' ARG . 70.1 mtm -69.16 -41.63 76.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.953 0.406 . . . . 0.0 110.269 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.81 -158.24 38.63 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.53 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.5 141.98 63.32 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.659 2.239 . . . . 0.0 111.887 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 16.5 m120 59.04 69.98 1.24 Allowed Pre-proline 0 N--CA 1.465 0.314 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.96 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -88.86 165.62 5.97 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.808 2.338 . . . . 0.0 112.593 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.44 111.06 1.97 Allowed 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.651 2.234 . . . . 0.0 111.638 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -68.14 -21.94 64.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.726 -175.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.72 ' HA ' ' HD3' ' B' ' 64' ' ' ARG . 5.3 p80 -70.45 -25.24 63.09 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.127 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.537 ' O ' ' HG2' ' B' ' 66' ' ' MET . 61.1 ttt180 -72.34 -30.67 64.95 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 176.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.04 -36.67 84.77 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.72 ' HD3' ' HA ' ' B' ' 61' ' ' HIS . 3.0 mtp85 -51.4 -54.26 28.39 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.334 172.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.963 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -66.36 -40.92 90.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.787 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 94.3 mmm -63.33 -29.81 71.05 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.63 -177.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -55.14 -56.25 21.99 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.11 0.481 . . . . 0.0 110.637 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.553 HG22 ' HB1' ' A' ' 72' ' ' ALA . 91.7 m -72.58 -28.15 62.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.035 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -60.35 -54.16 49.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.493 176.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.7 ttt -57.62 -45.32 85.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.002 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.24 -43.12 99.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.358 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.546 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -70.94 -36.66 72.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.287 -178.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.551 ' O ' HG23 ' B' ' 77' ' ' VAL . 50.6 mt-10 -62.23 -44.55 96.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.425 178.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.427 ' O ' HG23 ' B' ' 78' ' ' VAL . 43.6 t -59.64 -47.54 90.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.76 0.314 . . . . 0.0 110.437 175.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.42 86.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.779 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.64 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 45.2 tp10 -61.24 -48.25 82.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.536 176.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.551 HG23 ' O ' ' B' ' 73' ' ' GLU . 85.2 t -57.9 -41.95 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 74' ' ' VAL . 74.0 t -70.71 -47.83 61.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.212 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.85 -31.2 72.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.752 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 5.3 m -85.56 73.22 10.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.4 0.619 . . . . 0.0 110.483 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 72.8 p -153.95 163.53 23.66 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.007 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -62.02 146.47 96.22 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.829 1.686 . . . . 0.0 111.012 175.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -55.44 -32.64 82.91 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 111.884 -176.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -71.98 -22.1 61.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.596 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.464 ' O ' HG23 ' B' ' 89' ' ' VAL . 63.5 m -109.7 -19.02 13.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.611 -174.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -50.12 -46.76 54.06 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.671 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 47.7 t -61.24 -40.95 95.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.756 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.54 -42.2 74.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.958 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.52 HG22 HG12 ' B' ' 31' ' ' VAL . 46.8 t -63.41 -45.4 98.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.71 -50.83 72.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.546 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.58 -34.41 76.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.936 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 60.8 m -66.44 -51.42 57.11 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.18 0.514 . . . . 0.0 110.268 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.8 mm -64.85 -48.35 84.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.348 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.54 -38.36 80.36 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.934 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.19 -36.41 58.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.98 0.419 . . . . 0.0 110.598 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' CYS . . . . . 0.448 ' SG ' HD23 ' B' ' 22' ' ' LEU . 52.9 t -67.97 -32.91 73.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.394 -176.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 1.106 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 6.0 mp -59.79 -42.75 94.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.669 0.271 . . . . 0.0 111.215 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 98' ' ' ARG . 23.8 ttt85 -66.87 -37.5 84.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.952 0.406 . . . . 0.0 110.376 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.74 -52.33 26.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.029 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 70.2 m -55.08 -37.57 66.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.525 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.447 ' HE1' ' HG3' ' B' ' 18' ' ' MET . 17.8 mmt -64.85 -44.63 89.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.754 0.312 . . . . 0.0 110.619 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 14.6 ttm -70.36 -23.8 62.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.994 0.426 . . . . 0.0 111.021 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -89.29 -12.15 41.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.541 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -106.49 -53.91 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 111.464 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.421 HG21 ' HB ' ' B' ' 8' ' ' ILE . 61.6 p -105.41 -23.0 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.18 0.514 . . . . 0.0 110.82 -177.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 98.46 -14.15 62.32 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.557 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 13.0 m -121.15 160.16 24.33 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -177.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 58.9 t -96.91 106.25 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.9 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -73.61 98.73 2.91 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 172.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -80.14 -19.29 47.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.688 -176.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.41 -49.33 67.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.898 0.38 . . . . 0.0 110.372 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -66.59 -50.68 62.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.072 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.644 ' HA ' HD23 ' B' ' 97' ' ' LEU . 19.8 m -54.65 -47.55 73.41 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.158 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . 0.487 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 11.1 t30 -66.41 -38.13 86.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.676 0.274 . . . . 0.0 110.664 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.479 ' HA ' HE21 ' B' ' 118' ' ' GLN . 9.2 tp10 -61.65 -45.26 94.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.608 -178.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.544 ' HA ' HD12 ' B' ' 119' ' ' LEU . 95.2 t -60.32 -38.77 78.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.993 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 30.4 mmt -64.01 -36.61 84.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 36.0 mt-30 -72.09 -43.83 64.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' B' ' 116' ' ' VAL . 12.2 mt -54.52 -54.67 38.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.166 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.99 -32.07 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.616 -173.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -74.89 -34.54 62.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 45.6 ttp -69.34 -41.48 76.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.35 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.37 -32.8 74.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.777 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 34.1 t -81.39 -0.31 40.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.168 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -81.92 91.88 6.64 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.999 0.428 . . . . 0.0 110.387 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -65.74 121.66 15.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.549 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 18.3 m -83.31 133.92 34.95 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.111 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.27 10.97 13.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -72.44 91.9 1.41 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.794 175.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -84.99 90.02 7.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.426 0.631 . . . . 0.0 111.834 -174.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 28.7 m -92.9 -15.83 7.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 169.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 2.6 m -98.2 146.74 25.31 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.559 -1.201 . . . . 0.0 109.491 176.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.833 -0.603 . . . . 0.0 109.387 178.137 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 m -93.55 112.69 24.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.024 0.44 . . . . 0.0 110.61 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -144.97 64.95 0.45 Allowed Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.916 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.534 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 16.2 m120 -79.4 -17.97 53.26 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.639 0.733 . . . . 0.0 109.356 174.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 t -145.64 173.61 11.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.514 -1.221 . . . . 0.0 107.719 175.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 63.19 91.78 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 O-C-N 123.718 0.636 . . . . 0.0 109.393 -172.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -40.29 130.6 2.37 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.669 2.913 . . . . 0.0 113.328 -173.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.576 HG21 HG21 ' A' ' 105' ' ' THR . 11.6 pt -70.73 7.58 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.073 -175.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.462 ' O ' HD13 ' A' ' 63' ' ' LEU . 41.4 m95 -78.35 25.61 0.23 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -177.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.3 t -85.83 -19.03 31.24 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 169.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -123.48 113.43 29.12 Favored Pre-proline 0 N--CA 1.455 -0.221 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.774 174.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -68.04 -32.76 27.35 Favored 'Trans proline' 0 C--N 1.333 -0.276 0 C-N-CA 122.639 2.226 . . . . 0.0 112.945 -171.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -77.29 -32.03 55.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.748 0.309 . . . . 0.0 110.8 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.58 -44.27 87.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.105 0.478 . . . . 0.0 109.867 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.13 -41.03 95.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.622 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 42.7 ttm -59.54 -33.19 71.08 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.992 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.6 m -65.04 -38.29 90.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.325 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.507 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -64.1 -38.37 90.83 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -63.18 -46.99 84.5 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.737 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -66.12 -44.23 84.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.764 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -60.58 -33.59 72.94 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.344 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.709 HD21 HD12 ' A' ' 97' ' ' LEU . 48.8 mt -62.69 -43.61 98.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.744 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.1 t -65.46 -38.84 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.441 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -63.6 -44.02 95.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.583 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.1 t -59.38 -49.09 79.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.847 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' HB1' ' SD ' ' A' ' 37' ' ' MET . . . -62.3 -39.18 92.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.025 0.44 . . . . 0.0 111.055 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.1 t -70.68 -28.86 65.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.601 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -87.38 -32.61 19.49 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.884 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 p -71.87 -48.69 44.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.023 0.44 . . . . 0.0 110.471 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.25 13.14 81.59 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.198 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.59 HG13 HD12 ' A' ' 32' ' ' LEU . 14.0 p -78.7 -19.11 13.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.205 0.526 . . . . 0.0 109.999 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 31' ' ' VAL . 6.3 mp -88.34 156.31 19.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.299 177.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.6 p -87.03 171.17 10.93 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.768 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.22 -39.16 81.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.828 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.82 -51.24 70.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.064 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.494 ' HB3' HG13 ' A' ' 77' ' ' VAL . 53.2 mt-30 -63.15 -39.95 96.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.06 -178.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.423 ' SD ' ' HB1' ' A' ' 26' ' ' ALA . 82.9 mmm -64.26 -41.23 97.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.833 -178.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -70.47 -34.62 72.6 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.108 -0.237 . . . . 0.0 110.674 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -63.31 -44.5 94.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.234 0.54 . . . . 0.0 109.804 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.402 ' O ' ' HB3' ' A' ' 43' ' ' MET . 56.5 mmm -60.06 -41.83 93.22 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.423 175.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.72 -44.43 97.92 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.243 177.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.618 ' SD ' ' HG3' ' B' ' 62' ' ' ARG . 45.3 ttp -63.76 -31.79 73.08 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 121.241 -0.184 . . . . 0.0 110.839 178.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.459 ' O ' HG23 ' A' ' 47' ' ' VAL . 45.0 ttp -58.46 -52.35 66.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.926 0.393 . . . . 0.0 110.35 176.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.38 89.17 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.312 0.577 . . . . 0.0 110.779 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.24 -40.69 90.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.46 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.5 t -59.69 -47.93 83.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.701 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.501 ' O ' ' HG2' ' A' ' 51' ' ' MET . 6.4 t -61.87 -40.12 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -63.47 -52.03 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.326 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -61.36 -36.93 81.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.507 -173.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 54' ' ' MET . 15.6 mm100 -70.33 -32.4 70.11 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.015 178.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.501 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 93.6 mmm -66.8 -36.22 81.87 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.628 179.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -80.26 -17.75 51.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.986 0.422 . . . . 0.0 110.674 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HZ1' ' CG ' ' B' ' 45' ' ' ASP . 3.0 mmmm -73.67 -38.13 65.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.294 0.569 . . . . 0.0 110.126 173.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.563 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 21.0 ptp -94.61 -165.72 1.36 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.591 -174.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -111.45 -162.52 17.33 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.249 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -76.98 -10.59 18.07 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.99 2.46 . . . . 0.0 113.189 -176.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -139.58 77.77 27.74 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.722 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.563 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 58.5 Cg_endo -71.23 162.49 42.33 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.976 2.451 . . . . 0.0 112.611 175.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.407 ' O ' ' HB3' ' A' ' 62' ' ' ARG . 40.1 Cg_endo -67.16 151.56 81.14 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.706 2.271 . . . . 0.0 111.802 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -69.35 -28.92 66.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.355 -175.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.624 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 19.9 p80 -66.71 -25.46 66.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.933 0.397 . . . . 0.0 110.476 178.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.531 ' NH1' ' HG3' ' A' ' 66' ' ' MET . 0.2 OUTLIER -61.95 -36.47 81.53 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 175.623 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 9' ' ' TRP . 66.8 mt -75.59 -36.89 60.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.703 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 28.3 ptt180 -68.94 -37.08 78.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.687 -178.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.01 -46.19 58.14 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.014 0.435 . . . . 0.0 111.032 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.531 ' HG3' ' NH1' ' A' ' 62' ' ' ARG . 96.0 mmm -69.19 -24.04 63.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.839 -178.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -56.69 -51.06 70.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.136 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.502 HG22 ' HB1' ' B' ' 72' ' ' ALA . 7.6 m -71.85 -36.85 70.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.498 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -58.77 -51.04 71.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.634 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.1 ttt -58.86 -46.48 87.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.733 0.301 . . . . 0.0 110.85 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.85 95.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.465 -177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.552 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -65.68 -34.82 79.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.573 -178.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.487 ' O ' HG23 ' A' ' 77' ' ' VAL . 43.9 mt-10 -62.87 -49.67 73.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.024 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.8 t -57.07 -43.27 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 121.05 0.452 . . . . 0.0 110.672 177.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.42 98.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.989 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.679 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 44.7 tp10 -58.98 -37.28 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.224 176.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.494 HG13 ' HB3' ' A' ' 36' ' ' GLN . 59.3 t -65.54 -38.62 82.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.329 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.3 t -87.52 -40.94 14.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' HB2' HG23 ' A' ' 120' ' ' VAL . . . -66.28 -24.34 66.55 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -173.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.7 p -91.16 7.58 39.94 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 95.4 p -88.74 158.68 47.56 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.467 -177.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.12 141.45 96.46 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.49 2.127 . . . . 0.0 111.332 176.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.71 -16.15 53.06 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.499 2.133 . . . . 0.0 112.204 -173.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -80.41 -7.79 59.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.994 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.5 m -136.96 1.49 2.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.028 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -57.6 -51.89 67.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.17 -178.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 p -66.19 -33.81 76.6 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.185 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.87 -52.46 50.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.814 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.462 HG13 ' HG ' ' A' ' 32' ' ' LEU . 68.4 t -62.57 -42.02 94.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.347 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.862 HD11 HG11 ' A' ' 120' ' ' VAL . 28.3 tp -63.0 -43.47 98.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.828 -178.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -65.1 -37.73 88.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.649 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 73.9 m -64.58 -47.14 79.79 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.077 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.438 HG23 HD13 ' A' ' 97' ' ' LEU . 1.5 mm -64.09 -49.44 81.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 177.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.61 -42.39 96.11 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.335 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -67.18 -45.42 77.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.904 0.383 . . . . 0.0 110.867 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 69.3 m -72.33 -22.18 61.21 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.883 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.709 HD12 HD21 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -56.69 -50.5 71.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.599 0.714 . . . . 0.0 109.335 172.611 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.445 ' HA ' ' CG2' ' A' ' 108' ' ' VAL . 29.0 ttt180 -57.4 -49.15 77.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.939 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 36.2 mt-10 -68.95 -40.73 78.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.407 -176.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.8 m -56.82 -45.62 82.18 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.342 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.433 ' SD ' ' HG3' ' A' ' 18' ' ' MET . 15.0 mmt -62.58 -40.58 97.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.946 0.403 . . . . 0.0 110.459 177.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 34.1 ttm -71.4 -26.71 62.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.157 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -82.88 -27.76 30.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.787 0.327 . . . . 0.0 110.883 176.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.51 -60.53 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.266 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.576 HG21 HG21 ' A' ' 8' ' ' ILE . 69.8 p -97.39 -36.74 10.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.996 0.427 . . . . 0.0 111.068 -176.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.33 -9.37 8.31 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 -176.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.5 p -149.22 160.3 43.5 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 4' ' ' ASN . 2.7 p -93.69 119.45 41.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.109 0.48 . . . . 0.0 112.088 -175.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -76.93 134.85 38.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.413 173.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -86.85 -28.7 22.71 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.45 -51.59 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 111.318 -175.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -71.53 -44.58 64.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -178.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.62 ' HA ' HD23 ' A' ' 97' ' ' LEU . 30.1 m -61.69 -41.87 98.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -66.85 -41.77 86.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.492 178.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -55.91 -48.53 75.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.011 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.27 -39.46 80.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.308 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 30.4 mmt -68.35 -36.36 79.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.064 0.459 . . . . 0.0 110.465 -176.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -74.4 -38.27 63.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.707 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 72' ' ' ALA . 13.9 mt -60.04 -52.12 66.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.114 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.862 HG11 HD11 ' A' ' 90' ' ' LEU . 13.8 p -63.84 -33.25 60.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.534 -174.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -67.59 -49.24 64.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.361 176.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.434 ' HE1' HD23 ' B' ' 119' ' ' LEU . 34.8 ttp -65.43 -38.98 91.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.534 -177.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.507 HD21 HG21 ' B' ' 68' ' ' THR . 6.7 mp -62.55 -22.82 66.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 0.0 111.404 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.8 t -110.88 8.71 22.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.879 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -143.39 102.4 3.95 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.98 0.419 . . . . 0.0 111.814 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -132.95 134.83 45.04 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 172.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.2 p -78.01 28.11 0.18 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -176.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.82 -25.54 66.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.588 0.708 . . . . 0.0 110.612 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -87.57 104.39 16.45 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.541 177.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -79.03 97.19 6.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.627 -173.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 31.1 m -91.92 2.6 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.135 171.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 p -76.14 114.59 14.97 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.064 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 88.3 m . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.423 178.014 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.424 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m -154.26 104.9 2.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.103 0.478 . . . . 0.0 110.669 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -128.86 97.81 0.44 Allowed Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 177.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . 0.494 ' OD1' ' HB2' ' B' ' 107' ' ' SER . 92.4 m-20 -92.77 12.53 23.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.279 0.561 . . . . 0.0 110.32 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' B' ' 6' ' ' GLN . 37.5 t -142.04 155.33 45.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.021 179.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' B' ' 5' ' ' SER . 27.4 mt-30 70.32 125.88 0.03 OUTLIER Pre-proline 0 N--CA 1.463 0.203 0 O-C-N 124.007 0.817 . . . . 0.0 110.859 -175.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.417 ' HA ' ' OD2' ' B' ' 109' ' ' ASP . 50.1 Cg_exo -53.82 126.08 20.76 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 123.082 2.521 . . . . 0.0 112.785 -177.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 pp -73.73 -6.27 8.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.568 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -73.22 71.28 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.376 0.608 . . . . 0.0 111.989 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.9 p -128.93 -1.13 5.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.805 172.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -136.22 128.74 17.56 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.767 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -69.66 -43.92 2.45 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.528 2.152 . . . . 0.0 112.327 -175.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -66.57 -40.2 88.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.058 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.3 94.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.706 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.09 -42.21 89.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.815 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 43.8 ttm -59.61 -32.32 70.3 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.811 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 50.8 m -62.0 -40.62 96.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.321 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.529 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.99 -40.6 96.74 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.373 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.28 -44.55 96.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.722 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -65.84 -44.35 85.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.85 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -61.67 -32.57 72.76 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.263 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.798 HD21 HD12 ' B' ' 97' ' ' LEU . 40.0 mt -62.83 -42.59 99.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.762 0.315 . . . . 0.0 111.224 177.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 82.4 t -63.99 -39.41 85.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.476 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -60.08 -47.01 87.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.186 175.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 4.0 t -56.81 -49.53 75.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.286 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.0 90.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.913 0.387 . . . . 0.0 111.179 -178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 44.8 t -69.15 -38.83 79.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.002 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -83.49 -12.4 56.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.585 0.231 . . . . 0.0 111.393 -177.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.492 ' HB2' HG23 ' B' ' 31' ' ' VAL . 26.5 p -91.41 -41.63 10.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.87 0.366 . . . . 0.0 110.608 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.88 16.22 80.55 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.455 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.492 HG23 ' HB2' ' B' ' 29' ' ' SER . 29.5 t -77.56 -32.93 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.219 0.533 . . . . 0.0 110.379 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.563 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.5 mp -94.02 153.79 17.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.87 -175.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 40.9 p -87.83 175.01 8.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.709 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.45 -40.47 78.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.736 0.303 . . . . 0.0 111.159 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.567 ' O ' ' HB2' ' B' ' 39' ' ' ASP . 32.3 t70 -60.71 -39.88 90.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.751 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.563 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 51.8 mt-30 -75.83 -40.27 55.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.803 179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 80.3 mmm -63.66 -47.96 79.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.0 -29.56 68.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.019 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.567 ' HB2' ' O ' ' B' ' 35' ' ' ASP . 2.4 t0 -64.11 -50.1 69.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.98 175.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.458 ' O ' ' HB3' ' B' ' 43' ' ' MET . 85.9 mtp -64.73 -30.65 71.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.689 176.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.58 -44.24 96.83 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.879 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 47.2 ttp -65.17 -30.59 71.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 0.0 110.363 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . 0.458 ' HB3' ' O ' ' B' ' 40' ' ' MET . 43.3 ttp -59.17 -52.35 66.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.641 175.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.68 94.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.118 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.433 ' CG ' ' HZ1' ' A' ' 53' ' ' LYS . 12.3 t70 -57.59 -45.17 85.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.04 177.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -56.9 -49.24 76.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 31.7 t -62.96 -43.81 99.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.832 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -64.37 -41.23 96.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.519 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 36.9 m -65.28 -45.83 82.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 -177.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.88 -35.6 81.64 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.959 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -57.16 -49.4 76.06 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.324 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -78.73 -14.35 59.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 111.368 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' B' ' 49' ' ' SER . 8.3 mmmm -71.13 -13.67 62.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.146 0.498 . . . . 0.0 110.623 173.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . 0.453 ' SD ' ' HD2' ' B' ' 62' ' ' ARG . 72.2 mtm -118.58 -175.58 2.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.514 -177.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -119.64 -168.05 13.8 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.0 141.34 96.2 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.876 2.384 . . . . 0.0 112.624 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 59.57 83.62 0.21 Allowed Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.248 -177.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -86.91 159.09 8.81 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.036 2.491 . . . . 0.0 112.227 178.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.408 ' HG2' ' CB ' ' B' ' 62' ' ' ARG . 17.8 Cg_endo -61.0 137.78 74.29 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.992 2.462 . . . . 0.0 112.157 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -75.28 -35.33 61.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.935 -174.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.837 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 30.4 p80 -63.42 -27.57 69.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.408 0.623 . . . . 0.0 109.984 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.618 ' HG3' ' SD ' ' A' ' 42' ' ' MET . 28.7 ttm180 -70.34 -27.1 64.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.199 0.523 . . . . 0.0 109.692 178.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 98.3 mt -74.92 -37.21 62.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.678 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.837 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 25.5 ptt180 -61.55 -37.48 83.93 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.679 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -67.68 -46.82 71.23 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.982 178.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 97.1 mmm -65.24 -30.89 71.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.84 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.422 ' HB3' ' O ' ' B' ' 64' ' ' ARG . 8.9 t-20 -53.27 -55.18 26.66 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.931 176.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.552 HG22 ' HB1' ' A' ' 72' ' ' ALA . 20.5 m -72.35 -28.3 62.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.933 -177.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -61.71 -54.57 40.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.552 176.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 18.8 ttt -57.83 -47.6 82.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.911 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.44 97.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.534 -178.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.502 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -67.58 -37.03 82.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.334 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 44.6 mt-10 -63.3 -46.22 87.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.509 178.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.465 ' O ' HG23 ' B' ' 78' ' ' VAL . 67.6 t -58.51 -47.89 87.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.851 0.358 . . . . 0.0 110.61 176.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.3 87.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.028 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.98 -48.84 80.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.185 177.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 73' ' ' GLU . 84.0 t -60.48 -35.77 65.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.34 -178.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 74' ' ' VAL . 61.6 t -78.31 -41.25 25.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.965 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.413 ' HA ' ' CE2' ' B' ' 86' ' ' TYR . . . -71.18 -44.46 65.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.54 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 3.1 m -84.27 68.48 10.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.611 0.72 . . . . 0.0 110.406 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 83.3 p -139.8 165.87 28.02 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.965 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.52 140.7 74.9 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 121.917 1.745 . . . . 0.0 111.103 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.07 -11.77 32.56 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.273 1.982 . . . . 0.0 111.863 -174.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -96.77 -6.47 36.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.716 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.437 ' O ' HG23 ' B' ' 89' ' ' VAL . 28.6 m -117.21 -13.9 10.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 -177.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . 0.442 ' OH ' HG22 ' B' ' 120' ' ' VAL . 17.9 t80 -48.34 -59.55 3.36 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.551 -178.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 9.3 m -59.87 -41.51 91.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.063 -174.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.82 -46.96 85.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.064 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 85' ' ' SER . 88.5 t -63.65 -43.89 98.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.384 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 tt -58.05 -49.36 77.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.417 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -60.85 -31.06 70.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.106 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 52.9 m -69.98 -57.6 4.82 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.095 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' B' ' 93' ' ' ILE . 3.2 mm -60.98 -45.54 98.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.248 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.95 -40.56 95.54 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 121.096 -0.573 . . . . 0.0 113.222 -177.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.16 -38.86 60.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.707 0.289 . . . . 0.0 111.23 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' CYS . . . . . 0.561 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 93.7 m -73.93 -27.09 60.85 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.325 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.798 HD12 HD21 ' B' ' 22' ' ' LEU . 0.8 OUTLIER -51.56 -40.31 59.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.394 0.616 . . . . 0.0 110.248 174.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.483 ' HG3' HG21 ' B' ' 108' ' ' VAL . 62.1 ttt-85 -66.16 -46.41 77.54 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.406 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.561 ' HG2' ' HA ' ' B' ' 96' ' ' CYS . 10.3 pt-20 -81.58 -30.79 32.87 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.599 -0.441 . . . . 0.0 111.781 -176.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 58.2 m -58.13 -42.49 85.91 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 120.718 0.295 . . . . 0.0 110.374 176.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.454 ' SD ' ' HG3' ' B' ' 18' ' ' MET . 12.5 mmt -65.1 -41.57 94.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.3 175.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 28.2 ttm -67.04 -28.49 68.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.133 -178.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' B' ' 99' ' ' GLU . 83.7 mm-40 -85.51 -16.95 37.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.976 0.417 . . . . 0.0 110.618 176.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.99 -47.66 7.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 70.1 p -110.75 -42.55 4.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.081 0.467 . . . . 0.0 111.071 -178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 130.7 -14.26 5.54 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -175.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . 0.494 ' HB2' ' OD1' ' B' ' 4' ' ' ASN . 13.2 p -137.5 179.09 6.62 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.069 -0.565 . . . . 0.0 109.487 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.483 HG21 ' HG3' ' B' ' 98' ' ' ARG . 2.5 p -109.55 117.07 53.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.371 0.605 . . . . 0.0 111.79 -176.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.417 ' OD2' ' HA ' ' B' ' 7' ' ' PRO . 14.0 t0 -73.98 102.45 4.14 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.308 174.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -73.99 -27.6 61.05 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 -177.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.34 -50.27 68.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.913 0.387 . . . . 0.0 110.547 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.506 ' O ' HG23 ' B' ' 116' ' ' VAL . 90.6 t80 -64.88 -47.48 77.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.04 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.638 ' HA ' HD23 ' B' ' 97' ' ' LEU . 33.4 m -57.31 -45.52 84.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.404 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -64.38 -42.73 95.99 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.405 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.14 -44.43 94.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.105 -177.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.571 ' HA ' HD12 ' B' ' 119' ' ' LEU . 60.9 t -60.09 -35.93 64.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.843 0.354 . . . . 0.0 110.943 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 26.3 mmt -70.42 -35.16 73.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.999 0.428 . . . . 0.0 110.37 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -71.18 -39.92 71.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.321 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' B' ' 116' ' ' VAL . 15.2 mt -58.15 -53.55 56.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.257 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . 0.442 HG22 ' OH ' ' B' ' 86' ' ' TYR . 14.1 p -63.44 -34.05 65.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.997 -176.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -65.46 -48.02 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.778 176.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 34.5 ttp -62.63 -37.36 86.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.682 -177.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.401 HD13 ' O ' ' B' ' 119' ' ' LEU . 8.0 mp -61.53 -25.64 67.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.886 0.374 . . . . 0.0 111.198 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 34.3 t -102.66 6.13 39.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.908 0.385 . . . . 0.0 110.674 178.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -110.93 31.62 5.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.258 0.551 . . . . 0.0 111.168 -176.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -95.23 118.37 31.89 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.74 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 19.9 m -123.22 98.27 5.8 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.087 176.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.82 -27.88 62.22 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.73 0.776 . . . . 0.0 110.029 177.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -107.53 112.84 25.79 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.352 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.409 ' H ' ' HG2' ' B' ' 130' ' ' GLU . 7.2 pt-20 -82.68 134.74 35.15 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 27.2 m -81.0 20.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.963 -168.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 48.4 m -95.34 150.64 20.04 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.698 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 21.3 m . . . . . 0 C--O 1.247 0.974 0 CA-C-O 118.587 -0.72 . . . . 0.0 110.372 -178.333 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.809 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 t -171.43 174.09 4.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 132.15 -34.5 2.52 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.909 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -104.37 -16.99 14.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.254 0.549 . . . . 0.0 110.036 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 6' ' ' GLN . 10.7 m -106.77 124.71 50.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.043 174.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 5' ' ' SER . 15.0 mm100 67.68 170.11 0.11 Allowed Pre-proline 0 CA--C 1.537 0.448 0 O-C-N 123.646 0.591 . . . . 0.0 111.447 -176.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -64.31 -169.1 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.701 2.267 . . . . 0.0 112.499 174.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.2 pt -70.89 -3.78 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -176.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -76.61 78.33 3.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.711 0.767 . . . . 0.0 111.698 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.45 ' HA ' HD13 ' A' ' 63' ' ' LEU . 26.8 m -137.2 -34.36 0.72 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.811 171.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -101.54 114.85 65.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.277 171.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -59.69 -43.15 40.54 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.615 2.21 . . . . 0.0 111.814 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -68.11 -36.73 80.22 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.108 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.99 -41.8 95.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.457 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.52 86.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.379 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.523 ' HG2' ' ND2' ' A' ' 20' ' ' ASN . 42.0 ttm -60.89 -25.36 66.66 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.833 178.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.0 m -62.61 -41.0 98.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.194 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.617 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 7.5 ttt -64.9 -42.42 94.78 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 175.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -59.58 -44.26 93.4 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.857 -179.631 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.523 ' ND2' ' HG2' ' A' ' 16' ' ' MET . 28.8 m-80 -71.02 -45.54 63.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.366 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -61.06 -34.03 74.25 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.92 0.39 . . . . 0.0 110.613 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.669 HD11 HD12 ' A' ' 97' ' ' LEU . 12.2 tp -63.41 -48.64 76.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.207 177.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.482 HG22 ' HB3' ' A' ' 40' ' ' MET . 88.0 t -64.09 -41.34 92.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.772 178.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.661 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 47.2 mt-30 -60.39 -46.71 89.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.548 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.62 -48.44 77.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.761 0.315 . . . . 0.0 110.882 176.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.4 96.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.128 0.489 . . . . 0.0 111.079 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.2 t -66.85 -28.03 68.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.921 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.661 ' HG3' ' O ' ' A' ' 24' ' ' GLN . 32.8 mtp180 -86.47 -45.11 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.502 ' HB2' HG23 ' A' ' 31' ' ' VAL . 19.0 p -58.63 -52.24 66.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.951 0.405 . . . . 0.0 110.563 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.71 19.51 70.61 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.279 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.502 HG23 ' HB2' ' A' ' 29' ' ' SER . 7.8 t -75.73 -26.41 17.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.681 0.753 . . . . 0.0 109.097 175.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.459 ' HG ' HG13 ' A' ' 89' ' ' VAL . 5.1 mp -93.99 152.31 18.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.376 -177.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.8 p -84.76 172.97 11.05 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.478 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.78 77.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.847 0.356 . . . . 0.0 110.836 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -60.61 -53.12 61.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.132 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.504 ' HB3' HG13 ' A' ' 77' ' ' VAL . 51.7 mt-30 -60.47 -38.92 85.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.817 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 78.3 mmm -64.9 -39.46 93.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.616 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.611 ' O ' ' HG2' ' A' ' 42' ' ' MET . 69.1 m-20 -64.4 -43.61 93.89 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.076 -0.249 . . . . 0.0 110.737 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -45.37 81.23 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.363 0.414 . . . . 0.0 110.762 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.514 ' O ' ' HB3' ' A' ' 43' ' ' MET . 90.4 mtp -70.08 -35.64 74.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.821 0.343 . . . . 0.0 111.174 178.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.85 -49.77 74.94 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.04 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.611 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 9.2 ptm -69.83 -20.82 63.42 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.222 -0.191 . . . . 0.0 111.121 178.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.514 ' HB3' ' O ' ' A' ' 40' ' ' MET . 54.0 ttp -59.26 -56.53 20.92 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 109.948 173.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.01 -39.64 90.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.567 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.576 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 6.5 t70 -59.16 -47.98 83.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.853 179.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.3 m -61.25 -41.32 96.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.833 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.502 ' HA ' ' HE1' ' A' ' 66' ' ' MET . 40.4 t -62.12 -36.3 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.277 0.56 . . . . 0.0 110.339 177.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.429 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 39.7 t-20 -66.02 -47.38 74.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.578 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 54.6 m -67.76 -25.94 65.87 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.559 ' O ' ' HG2' ' A' ' 54' ' ' MET . 16.7 mt-30 -81.99 -15.95 51.98 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.2 177.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.497 ' HA ' ' HG2' ' A' ' 54' ' ' MET . 34.2 mtp -74.35 -21.26 59.77 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 168.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -83.16 -27.85 29.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.476 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HE3' ' HB3' ' A' ' 53' ' ' LYS . 25.4 mmmt -67.48 -31.41 71.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.649 173.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.855 ' HB2' ' HB3' ' A' ' 58' ' ' PRO . 22.3 ptp -101.98 -165.73 1.22 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.629 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.404 ' O ' ' HD3' ' A' ' 58' ' ' PRO . . . -151.81 -147.58 4.61 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.368 -178.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -69.84 -14.15 35.44 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.372 2.715 . . . . 0.0 112.439 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -144.67 72.99 15.4 Favored Pre-proline 0 C--N 1.316 -0.873 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.83 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.855 ' HB3' ' HB2' ' A' ' 54' ' ' MET . 57.2 Cg_endo -71.4 159.03 52.76 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.82 2.347 . . . . 0.0 113.389 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.603 ' HG2' ' HG2' ' A' ' 62' ' ' ARG . 36.4 Cg_endo -66.84 129.43 20.87 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.925 2.417 . . . . 0.0 111.261 174.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -61.99 -20.02 63.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.843 -176.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.447 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 90.9 m-70 -62.11 -33.63 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.277 178.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.603 ' HG2' ' HG2' ' A' ' 59' ' ' PRO . 30.1 mmt180 -62.06 -42.57 99.33 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 10' ' ' THR . 93.9 mt -62.64 -48.91 77.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.035 -177.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 61' ' ' HIS . 4.0 ptm180 -64.34 -40.77 96.54 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.699 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -72.98 -44.71 60.74 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -177.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.502 ' HE1' ' HA ' ' A' ' 47' ' ' VAL . 79.0 mtp -71.71 -20.97 61.84 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.77 -176.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -55.59 -53.88 50.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.161 173.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.6 m -72.73 -34.04 66.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.624 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -59.31 -47.77 84.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.704 -178.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.1 ttt -61.53 -42.95 99.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.759 0.314 . . . . 0.0 110.866 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.49 86.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.202 -178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.563 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -63.49 -37.28 86.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.524 ' O ' HG23 ' A' ' 77' ' ' VAL . 47.7 mt-10 -65.22 -37.05 86.06 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.79 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.25 -45.1 86.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.002 0.43 . . . . 0.0 110.553 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.59 97.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.507 -177.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.479 ' OE1' ' HA ' ' B' ' 65' ' ' ALA . 10.7 pt-20 -62.29 -35.88 80.38 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 73' ' ' GLU . 49.7 t -66.4 -45.86 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.91 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.82 -41.54 92.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.695 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.18 -30.91 70.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.755 -179.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.0 m -82.43 71.46 9.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.562 0.696 . . . . 0.0 110.404 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.4 ' HB3' ' NE2' ' A' ' 36' ' ' GLN . 73.9 p -154.56 167.95 12.91 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.974 178.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.89 134.81 62.65 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.649 1.566 . . . . 0.0 110.109 172.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.69 -13.06 34.48 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.43 2.086 . . . . 0.0 112.31 -171.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -88.81 -23.2 22.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.775 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 t -104.6 -10.63 17.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.22 0.534 . . . . 0.0 109.793 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -45.58 -53.79 8.58 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.474 176.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.1 m -59.14 -36.19 74.82 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.326 -177.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.75 62.08 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.942 0.401 . . . . 0.0 110.681 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.459 HG13 ' HG ' ' A' ' 32' ' ' LEU . 63.7 t -62.09 -43.34 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.092 178.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.74 -49.04 77.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.256 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -59.56 -40.59 87.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.07 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.2 m -67.16 -48.91 66.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -178.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.498 ' HA ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -63.79 -48.51 86.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.621 178.222 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.31 -43.35 75.6 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.503 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.474 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -69.39 -46.89 65.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.632 0.253 . . . . 0.0 111.02 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.1 m -70.02 -18.13 63.29 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -175.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 113' ' ' THR . 3.8 mp -63.35 -50.58 69.41 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.324 0.583 . . . . 0.0 109.728 172.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.562 ' HG3' HG21 ' A' ' 108' ' ' VAL . 68.9 ttt180 -59.99 -43.29 95.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.445 178.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 43.6 mt-10 -63.66 -50.26 69.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.983 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 71.6 m -55.18 -45.68 75.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.792 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.54 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 13.3 mmt -59.41 -43.13 93.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.066 0.46 . . . . 0.0 111.012 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.5 ttm -69.12 -25.99 64.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.198 -178.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -88.96 -24.05 22.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.774 0.321 . . . . 0.0 111.089 178.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.88 -56.84 3.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.458 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 80.5 p -107.71 -29.68 8.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.037 0.446 . . . . 0.0 111.0 -176.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.77 -13.11 32.38 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.4 m -127.58 147.37 50.34 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.562 HG21 ' HG3' ' A' ' 98' ' ' ARG . 3.4 p -96.78 117.16 40.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.264 0.554 . . . . 0.0 111.343 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -77.99 113.41 15.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.343 172.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -81.66 -21.54 38.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.917 -175.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.78 -51.44 68.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.89 0.376 . . . . 0.0 110.63 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.58 -51.75 57.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.342 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.687 ' HA ' HD23 ' A' ' 97' ' ' LEU . 20.1 m -51.44 -47.09 63.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.976 178.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.545 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 65.2 t30 -69.73 -40.99 75.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.548 0.213 . . . . 0.0 110.721 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -56.87 -43.46 81.23 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.97 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.539 HG21 HD21 ' A' ' 97' ' ' LEU . 93.9 t -62.45 -36.86 76.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.83 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 23.4 mmt -67.39 -36.48 81.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.035 0.445 . . . . 0.0 109.909 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 114' ' ' ASN . 79.6 mt-30 -66.89 -49.84 64.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.829 176.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.3 mt -56.68 -50.09 73.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.859 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.8 p -65.17 -32.61 59.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.603 -173.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -73.49 -39.67 64.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.198 0.523 . . . . 0.0 110.182 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 35.2 ttp -70.35 -36.98 74.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.472 -177.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 80.0 mt -74.03 0.48 13.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.204 0.526 . . . . 0.0 111.339 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.8 m -122.55 9.06 9.58 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.915 174.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -95.65 22.79 6.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.552 -175.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -115.36 71.14 0.76 Allowed 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.171 174.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.1 p -142.98 104.8 4.36 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.631 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -95.41 -0.57 52.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.447 0.641 . . . . 0.0 109.998 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -91.35 134.74 34.34 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.351 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' A' ' 130' ' ' GLU . 0.6 OUTLIER -96.65 143.15 27.88 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.722 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.2 m -94.8 -12.28 8.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.374 -174.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.0 p -71.48 107.48 4.41 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.901 175.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.3 m . . . . . 0 C--N 1.321 -0.665 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.745 -176.121 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -176.37 158.19 1.81 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.34 -36.82 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.39 -0.91 . . . . 0.0 113.28 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -109.74 -9.06 14.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.125 0.463 . . . . 0.0 111.167 -175.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.5 p -142.27 -176.09 4.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 70.35 158.6 0.16 Allowed Pre-proline 0 CA--C 1.532 0.254 0 O-C-N 123.919 0.762 . . . . 0.0 112.334 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -58.6 167.15 5.42 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.098 2.532 . . . . 0.0 112.573 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.608 ' HB ' HG21 ' B' ' 105' ' ' THR . 3.5 pt -74.79 -0.73 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.359 -173.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.422 ' CZ3' ' HB3' ' B' ' 66' ' ' MET . 91.0 m95 -79.23 29.35 0.22 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.137 0.494 . . . . 0.0 111.581 -177.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.1 m -88.91 -18.99 26.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.449 173.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.579 ' HB3' ' HB3' ' B' ' 14' ' ' ALA . 21.9 t-20 -131.44 125.33 20.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.745 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -69.01 -44.8 2.34 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.498 2.132 . . . . 0.0 112.798 -176.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -66.95 -41.31 87.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.96 0.409 . . . . 0.0 110.5 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' B' ' 11' ' ' ASN . . . -63.08 -43.62 98.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.782 178.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.488 ' HA ' HD12 ' B' ' 8' ' ' ILE . . . -65.98 -38.93 89.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.356 177.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 47.3 ttm -61.77 -25.31 67.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.88 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.3 m -66.22 -35.47 80.51 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.897 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.2 OUTLIER -64.73 -43.33 93.72 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 175.135 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.2 -43.82 98.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.698 177.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -64.79 -50.48 66.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.964 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -62.38 -30.23 71.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.587 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.667 HD11 HD12 ' B' ' 97' ' ' LEU . 13.8 tp -63.63 -49.06 74.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.629 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.542 HG22 ' HB3' ' B' ' 40' ' ' MET . 59.6 t -63.46 -41.3 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.348 178.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 50.2 mt-30 -59.23 -48.09 82.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.723 177.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 49.3 t -61.8 -34.53 76.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.886 0.374 . . . . 0.0 110.745 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.94 79.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.109 0.481 . . . . 0.0 110.955 177.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 30.4 t -72.23 -32.29 66.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.188 0.518 . . . . 0.0 110.353 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' B' ' 24' ' ' GLN . 58.8 mtp85 -71.6 -32.44 68.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.107 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.402 ' HB2' HG23 ' B' ' 31' ' ' VAL . 15.3 p -80.07 -49.79 11.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.469 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.87 26.8 52.56 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.694 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.402 HG23 ' HB2' ' B' ' 29' ' ' SER . 20.2 t -84.37 -27.64 7.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.319 0.581 . . . . 0.0 110.59 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.428 ' N ' HD12 ' B' ' 32' ' ' LEU . 5.5 mp -92.19 155.17 18.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.371 -171.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 56.7 p -84.14 171.73 12.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.645 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.32 88.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.502 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.422 ' HA ' ' HE1' ' A' ' 61' ' ' HIS . 3.0 t70 -60.81 -40.21 91.84 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.064 0.459 . . . . 0.0 109.914 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.431 ' HB3' HG13 ' B' ' 77' ' ' VAL . 52.0 mt-30 -71.47 -42.06 68.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.674 178.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 85.7 mmm -64.98 -43.54 92.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.322 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.438 ' O ' ' HG2' ' B' ' 42' ' ' MET . 27.6 m-20 -62.17 -42.06 98.91 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.211 176.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.433 ' HB3' HG22 ' B' ' 77' ' ' VAL . 3.8 t70 -59.52 -45.24 92.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.134 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.566 ' O ' ' HB3' ' B' ' 43' ' ' MET . 90.9 mtp -68.8 -36.48 78.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.122 177.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.3 -51.14 60.6 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.626 177.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.501 ' HA ' ' HB3' ' B' ' 45' ' ' ASP . 4.8 ptm -74.13 -15.29 61.04 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.03 178.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . 0.566 ' HB3' ' O ' ' B' ' 40' ' ' MET . 49.5 ttp -60.43 -51.38 69.73 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 171.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.65 -33.89 76.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.204 176.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.501 ' HB3' ' HA ' ' B' ' 42' ' ' MET . 22.3 t70 -66.11 -36.44 83.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.909 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 38.7 m -67.95 -38.28 82.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 0.0 110.205 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 43' ' ' MET . 52.7 t -62.7 -41.54 92.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 121.413 0.625 . . . . 0.0 109.42 173.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.86 -42.84 94.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.35 175.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 50.6 m -63.83 -30.62 71.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.288 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.627 ' O ' ' HG2' ' B' ' 54' ' ' MET . 17.6 mt-30 -81.83 -19.24 41.51 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.071 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . 0.567 ' HA ' ' HG2' ' B' ' 54' ' ' MET . 22.5 mtp -76.87 -27.68 55.14 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.978 175.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -85.11 -17.63 36.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.064 0.459 . . . . 0.0 110.272 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -73.06 -33.09 65.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.808 170.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . 0.627 ' HG2' ' O ' ' B' ' 50' ' ' GLN . 23.1 ptp -97.33 -159.95 0.77 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.39 174.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . 0.428 ' HA3' ' HD2' ' B' ' 56' ' ' PRO . . . -176.85 -138.46 2.94 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.518 178.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' PRO . . . . . 0.428 ' HD2' ' HA3' ' B' ' 55' ' ' GLY . 38.7 Cg_endo -65.49 112.34 2.11 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.559 2.172 . . . . 0.0 111.415 176.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 64.77 86.51 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.255 -175.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.498 ' HB3' ' HB2' ' B' ' 54' ' ' MET . 97.0 Cg_endo -85.34 161.77 11.23 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 122.708 2.272 . . . . 0.0 113.333 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.614 ' HG2' ' HG2' ' B' ' 62' ' ' ARG . 55.3 Cg_endo -72.93 137.73 27.28 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.852 2.368 . . . . 0.0 112.06 177.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -57.22 -32.98 67.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.788 -177.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.408 ' CE1' ' HB2' ' A' ' 38' ' ' ASP . 95.1 m-70 -56.74 -40.07 75.1 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.831 0.348 . . . . 0.0 111.236 -178.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.614 ' HG2' ' HG2' ' B' ' 59' ' ' PRO . 36.8 mmt180 -60.85 -40.58 93.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.849 -177.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 91.1 mt -69.02 -40.56 78.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.59 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.453 ' HG2' ' OE2' ' A' ' 76' ' ' GLU . 14.4 ttp-105 -59.76 -46.77 88.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.115 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.479 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -68.91 -37.45 78.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.178 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.422 ' HB3' ' CZ3' ' B' ' 9' ' ' TRP . 0.0 OUTLIER -59.84 -38.32 81.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.251 179.35 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.508 HD22 ' C ' ' B' ' 67' ' ' ASN . 0.2 OUTLIER -55.98 -50.74 69.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.119 178.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.563 HG22 ' HB1' ' A' ' 72' ' ' ALA . 1.9 m -74.12 -42.6 59.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.087 -177.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -60.12 -53.34 58.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.622 -177.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.3 ttt -59.5 -43.33 93.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.826 0.346 . . . . 0.0 110.992 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . 0.408 ' HB2' ' CE1' ' B' ' 112' ' ' PHE . . . -65.3 -43.38 91.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.5 -35.45 79.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.972 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.576 ' O ' HG23 ' B' ' 77' ' ' VAL . 47.6 mt-10 -62.74 -43.41 98.87 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 110.316 177.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.84 -45.4 98.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.063 0.458 . . . . 0.0 110.712 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.27 -43.25 99.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.552 -178.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.499 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 6.4 pt-20 -67.91 -34.67 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.428 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 73' ' ' GLU . 55.6 t -61.33 -41.11 88.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.906 0.384 . . . . 0.0 110.261 176.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.7 t -73.71 -49.96 32.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.788 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.58 91.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.838 -177.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 8.3 m -84.55 74.5 10.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.542 0.687 . . . . 0.0 110.338 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.3 p -153.54 169.26 10.12 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 114.883 -1.053 . . . . 0.0 108.518 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.98 137.45 72.19 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.768 1.646 . . . . 0.0 110.678 172.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.56 -17.54 58.86 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.429 2.086 . . . . 0.0 111.94 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -74.02 -22.91 59.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.131 178.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 5.9 p -117.37 -7.43 11.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.518 -176.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -51.96 -51.04 59.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.759 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 12.5 p -63.26 -39.55 94.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.179 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.09 77.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.768 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.16 -42.26 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.359 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 tt -58.55 -54.1 50.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.748 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -61.25 -36.61 80.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.825 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.8 m -64.8 -53.33 48.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.66 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.7 OUTLIER -58.25 -44.19 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.025 179.036 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.99 -39.01 91.28 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.728 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.11 -43.74 56.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.759 0.314 . . . . 0.0 110.496 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 90.2 m -58.91 -38.19 78.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.316 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.897 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 1.9 mp -54.6 -49.47 70.37 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.648 0.261 . . . . 0.0 111.43 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -59.94 -45.83 91.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.564 -176.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.25 -44.68 68.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.083 -177.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 69.2 m -52.81 -38.98 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 12.4 mmt -62.15 -49.08 77.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.888 0.375 . . . . 0.0 110.902 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 29.6 ttm -67.42 -28.61 68.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -87.1 -0.95 57.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.304 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -112.0 -54.16 2.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.332 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.608 HG21 ' HB ' ' B' ' 8' ' ' ILE . 81.4 p -109.54 -17.08 13.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.115 0.483 . . . . 0.0 111.281 -176.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.25 -3.83 76.63 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.556 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 14.8 m -131.8 156.6 45.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 75.2 t -103.5 114.71 43.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.876 0.37 . . . . 0.0 110.865 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -84.71 130.27 34.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.217 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -92.68 -27.33 17.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.182 -177.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.2 86.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.989 -176.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.439 ' O ' HG23 ' B' ' 116' ' ' VAL . 83.0 t80 -71.5 -51.11 25.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.323 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.633 ' HA ' HD23 ' B' ' 97' ' ' LEU . 18.2 m -56.05 -39.66 72.36 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.374 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -74.04 -39.76 63.3 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.443 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.76 -46.0 88.46 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.478 HG21 HD21 ' B' ' 97' ' ' LEU . 87.7 t -59.02 -40.29 80.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.28 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 27.1 mmt -65.19 -37.75 88.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -71.16 -44.63 65.14 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' B' ' 116' ' ' VAL . 9.7 mt -52.67 -49.29 65.53 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.484 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 14.4 p -71.65 -40.64 70.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.686 -173.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -67.61 -33.25 74.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.773 0.32 . . . . 0.0 110.74 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 42.7 ttp -62.2 -46.47 88.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.688 178.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 98.5 mt -68.69 -26.17 65.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.732 -179.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 40.9 t -71.65 -22.39 61.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.166 0.507 . . . . 0.0 110.74 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -97.25 20.83 10.84 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.002 -176.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -107.16 25.41 11.42 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.175 0.988 . . . . 0.0 108.963 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 5.5 p -103.54 144.36 31.52 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.045 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -131.05 44.26 2.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.126 0.488 . . . . 0.0 110.796 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -128.43 138.29 52.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.847 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.02 157.25 19.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.888 0.375 . . . . 0.0 111.218 -177.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 17.4 m -127.72 11.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.646 -176.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 2.4 p -71.78 136.25 47.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.158 0.504 . . . . 0.0 111.895 -176.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 26.6 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.951 -0.547 . . . . 0.0 110.014 178.69 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 112.213 -0.355 . . . . 0.0 112.213 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -111.98 171.03 7.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.717 0.294 . . . . 0.0 111.011 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 93.03 -58.7 2.42 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.157 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -161.17 152.12 18.47 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 m -77.27 122.79 25.57 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -81.32 117.9 70.07 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.003 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.564 ' HA ' ' OD2' ' A' ' 109' ' ' ASP . 71.6 Cg_exo -48.64 130.63 22.68 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 122.931 2.421 . . . . 0.0 112.362 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.511 HG21 HG21 ' A' ' 105' ' ' THR . 5.6 pt -79.78 -1.82 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.407 -175.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -77.18 41.85 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.353 0.597 . . . . 0.0 111.655 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.4 p -105.83 -11.25 16.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.954 170.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.48 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 34.3 m-80 -127.1 124.0 23.68 Favored Pre-proline 0 N--CA 1.455 -0.214 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.461 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 11' ' ' ASN . 16.1 Cg_exo -65.04 -47.51 4.66 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 122.948 2.432 . . . . 0.0 113.175 -175.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -78.59 -33.62 47.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.958 -176.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.57 92.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.117 0.484 . . . . 0.0 110.545 177.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -38.43 80.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.548 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 42.0 ttm -61.17 -32.09 71.83 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.55 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.0 m -61.57 -37.05 82.42 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.987 177.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.974 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -69.3 -43.37 73.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.535 178.5 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -59.34 -44.7 92.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.356 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -60.89 -46.8 89.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.011 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.58 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 95.6 m-20 -63.84 -31.92 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.346 -178.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.5 HD21 HD12 ' A' ' 97' ' ' LEU . 21.4 mt -65.41 -41.52 93.52 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.482 176.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.73 -52.09 63.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.475 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.58 ' HG2' ' HA ' ' A' ' 21' ' ' ASN . 4.1 pt20 -60.36 -39.01 85.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.222 0.534 . . . . 0.0 110.346 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.8 t -65.29 -41.39 94.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.629 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.522 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -66.71 -40.53 88.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.745 177.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.2 t -64.89 -36.79 85.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.546 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -66.87 -49.53 65.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.121 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 p -63.39 -49.18 74.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 -177.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.79 22.0 78.67 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.165 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.425 ' CG1' HD12 ' A' ' 32' ' ' LEU . 14.6 p -84.3 -15.86 10.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.438 0.637 . . . . 0.0 109.513 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.522 HD13 ' HB1' ' A' ' 26' ' ' ALA . 5.0 mp -99.06 156.32 16.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.079 178.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.9 p -93.12 174.73 7.08 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.611 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.33 -36.23 81.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.828 0.347 . . . . 0.0 110.638 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -53.55 -54.94 30.2 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.794 174.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.656 ' HB3' HG13 ' A' ' 77' ' ' VAL . 46.2 mt-30 -67.81 -37.68 82.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.443 -178.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 85.0 mmm -66.15 -37.51 85.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.488 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.433 ' HB3' ' HE1' ' B' ' 61' ' ' HIS . 27.7 t70 -76.27 -30.53 57.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.178 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.421 ' OD2' ' HB2' ' B' ' 65' ' ' ALA . 1.5 m-20 -58.78 -50.59 73.37 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.982 172.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.486 ' O ' ' HB3' ' A' ' 43' ' ' MET . 91.2 mtp -67.27 -31.38 71.68 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.614 177.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.17 -45.52 95.86 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.743 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 49.3 ttp -66.67 -30.62 70.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 110.528 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.486 ' HB3' ' O ' ' A' ' 40' ' ' MET . 46.9 ttp -56.04 -53.7 53.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.989 0.424 . . . . 0.0 110.484 176.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.86 97.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.528 178.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -60.96 -39.73 90.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.169 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.6 t -62.25 -48.94 77.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.922 0.392 . . . . 0.0 110.637 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 43' ' ' MET . 24.0 t -59.87 -35.55 61.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.133 178.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -72.16 -49.96 31.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.205 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.627 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 39.0 m -63.22 -32.05 73.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.708 -174.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.491 ' HG3' ' HE2' ' A' ' 54' ' ' MET . 5.1 tp-100 -66.33 -36.16 82.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.114 0.483 . . . . 0.0 109.819 177.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 77.0 mtp -75.29 -36.36 61.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.603 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.627 ' HG2' ' HA ' ' A' ' 49' ' ' SER . 9.9 pt20 -74.39 -18.27 60.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.041 0.448 . . . . 0.0 110.938 178.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -76.0 -46.84 27.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.795 174.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.822 ' HE1' ' HD3' ' A' ' 62' ' ' ARG . 62.4 mtm -85.03 -177.22 6.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.191 -174.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -105.45 -154.2 21.74 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.253 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.97 137.23 37.24 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.512 2.141 . . . . 0.0 112.359 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 60.66 81.83 0.23 Allowed Pre-proline 0 N--CA 1.463 0.215 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.429 -178.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.82 158.3 51.7 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.498 2.132 . . . . 0.0 111.929 175.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.515 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 24.3 Cg_endo -61.65 139.09 79.18 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.927 2.418 . . . . 0.0 112.029 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -60.87 -32.52 71.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.323 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -68.1 -21.92 64.93 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.84 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.822 ' HD3' ' HE1' ' A' ' 54' ' ' MET . 0.5 OUTLIER -64.91 -37.64 88.32 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 176.017 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.436 HD23 HH21 ' A' ' 62' ' ' ARG . 47.4 mt -70.12 -34.78 73.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.427 177.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.448 HH22 ' HA ' ' B' ' 36' ' ' GLN . 2.9 tmm_? -61.59 -38.28 87.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.654 174.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.467 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -76.75 -51.09 12.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.522 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 89.5 mmm -67.96 -23.45 65.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.02 -173.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -56.3 -57.29 12.87 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.538 HG22 ' HB1' ' B' ' 72' ' ' ALA . 6.8 m -68.32 -35.22 77.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.793 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -60.9 -59.03 6.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.852 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.41 ' HG3' ' SD ' ' A' ' 43' ' ' MET . 21.1 ttt -57.59 -45.52 85.18 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.043 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.37 88.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.502 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.59 -38.26 80.5 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.358 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 77' ' ' VAL . 48.8 mt-10 -61.86 -48.32 81.06 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.216 -0.194 . . . . 0.0 110.643 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 78' ' ' VAL . 47.0 t -57.24 -47.68 83.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.883 0.373 . . . . 0.0 110.571 176.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.19 -42.99 92.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.794 ' OE1' ' HA ' ' B' ' 65' ' ' ALA . 0.6 OUTLIER -62.66 -46.38 88.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.656 177.26 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.656 HG13 ' HB3' ' A' ' 36' ' ' GLN . 56.4 t -54.1 -39.34 41.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.582 178.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.468 HG22 HG12 ' A' ' 89' ' ' VAL . 77.1 t -73.14 -47.5 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.197 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.435 ' HA ' ' CE1' ' A' ' 86' ' ' TYR . . . -65.3 -30.12 70.94 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -174.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 m -90.92 19.98 5.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.211 0.529 . . . . 0.0 111.485 -175.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.4 ' OG ' ' HA ' ' A' ' 86' ' ' TYR . 79.7 p -90.03 162.88 34.01 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 176.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.27 145.46 87.13 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.162 1.908 . . . . 0.0 111.282 173.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -64.36 -13.34 37.75 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.405 2.07 . . . . 0.0 112.324 -175.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -81.76 -14.81 55.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.882 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.2 m -132.13 4.91 4.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.848 -174.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' A' ' 79' ' ' ALA . 18.4 t80 -59.21 -51.61 69.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.0 t -71.37 -27.28 63.23 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.38 -51.37 52.81 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.705 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.468 HG12 HG22 ' A' ' 78' ' ' VAL . 62.8 t -64.03 -40.65 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.6 tt -58.29 -54.15 50.27 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.624 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -57.33 -40.82 78.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.034 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.9 m -62.21 -52.92 61.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.453 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.436 ' HA ' HD13 ' A' ' 93' ' ' ILE . 1.3 mm -65.93 -50.01 72.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.85 -33.1 71.85 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.161 -0.543 . . . . 0.0 113.348 -175.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.58 -35.93 26.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.787 0.327 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.9 t -79.27 -20.57 47.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.213 -173.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.974 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 3.5 mp -57.85 -41.91 83.34 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.065 0.459 . . . . 0.0 110.386 175.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.585 ' HG3' HG21 ' A' ' 108' ' ' VAL . 79.3 ttt180 -63.71 -37.72 88.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.285 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -73.15 -50.78 20.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.0 m -55.09 -41.02 71.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.4 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.458 ' SD ' ' HG3' ' A' ' 18' ' ' MET . 9.9 mmt -62.57 -47.77 82.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.934 0.397 . . . . 0.0 111.009 177.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.8 ttm -68.14 -32.98 73.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.239 -176.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -81.99 -12.13 58.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.858 0.361 . . . . 0.0 110.959 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.59 -60.87 1.67 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.813 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.511 HG21 HG21 ' A' ' 8' ' ' ILE . 65.2 p -93.85 -51.32 4.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.509 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 139.11 -25.75 2.76 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -175.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 48.0 m -120.1 -174.82 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.585 HG21 ' HG3' ' A' ' 98' ' ' ARG . 4.8 p -117.51 123.4 71.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.301 178.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.564 ' OD2' ' HA ' ' A' ' 7' ' ' PRO . 14.5 t0 -75.13 97.82 3.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.86 173.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -72.56 -28.91 63.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.579 -175.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.88 87.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.451 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 116' ' ' VAL . 76.8 t80 -67.46 -51.7 48.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.103 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.699 ' HA ' HD23 ' A' ' 97' ' ' LEU . 13.1 m -54.37 -44.17 72.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.603 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 51.0 t-20 -67.16 -47.87 69.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.251 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -57.1 -44.59 83.35 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.438 -176.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.455 HG21 HD21 ' A' ' 97' ' ' LEU . 94.6 t -60.36 -36.22 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.37 . . . . 0.0 111.013 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.441 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 25.2 mmt -73.28 -23.53 60.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.643 -177.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 25.8 mm-40 -87.76 -34.58 18.28 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 18.7 mt -59.15 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.016 176.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.16 -34.67 72.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.189 -177.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 117' ' ' MET . 95.9 mttt -71.42 -37.51 71.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.144 177.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 50.3 ttp -70.21 -37.77 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.012 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 84.3 mt -72.89 0.91 9.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.274 0.559 . . . . 0.0 110.694 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.6 m -135.52 16.81 3.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.861 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -87.99 75.32 8.79 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.575 0.703 . . . . 0.0 111.599 -174.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -154.53 108.39 2.94 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.939 173.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 69.8 m -62.04 99.87 0.14 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.253 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.79 32.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.649 -176.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -69.79 99.68 1.4 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.536 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -82.57 105.74 13.86 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.05 0.452 . . . . 0.0 110.678 -177.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 29.5 m -91.8 -16.55 7.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.603 175.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 43.0 m -150.91 116.14 5.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.874 177.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 90.6 m . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.812 179.408 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.228 -0.349 . . . . 0.0 112.228 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.9 p -125.78 -175.95 3.48 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.607 0.242 . . . . 0.0 110.539 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.8 -156.17 15.77 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.439 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -155.87 145.15 20.78 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.4 p -65.31 138.36 58.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.079 0.466 . . . . 0.0 111.37 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -128.32 124.62 22.99 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.188 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.29 123.4 13.72 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.32 2.013 . . . . 0.0 110.46 173.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.48 ' CG2' HG21 ' B' ' 105' ' ' THR . 12.6 pt -68.47 -6.84 6.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -171.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -73.17 81.86 1.3 Allowed 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 122.152 0.977 . . . . 0.0 110.715 176.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 85.6 m -152.4 -38.52 0.11 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 113.988 -1.46 . . . . 0.0 107.719 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -99.06 117.75 63.75 Favored Pre-proline 0 N--CA 1.452 -0.335 0 CA-C-N 114.854 -1.067 . . . . 0.0 108.697 170.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -59.96 -51.57 5.57 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.805 2.337 . . . . 0.0 112.46 -172.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -67.11 -36.18 81.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.316 -176.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.76 -33.6 68.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.016 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.81 -34.61 60.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.538 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 43.5 ttm -60.79 -28.18 68.56 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.803 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m -58.77 -40.67 84.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.787 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.437 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 10.3 ttt -64.14 -43.84 93.97 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 178.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -60.96 -44.1 97.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.379 0.609 . . . . 0.0 110.471 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -65.02 -46.05 82.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.366 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -67.86 -29.21 68.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.267 -176.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.681 HD21 HD12 ' B' ' 97' ' ' LEU . 40.9 mt -63.4 -47.02 83.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.814 176.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 67.4 t -61.42 -39.91 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.337 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.595 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 24.9 mt-30 -58.01 -48.9 78.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.328 175.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 0.471 ' HA ' ' NE ' ' B' ' 28' ' ' ARG . 6.4 t -59.36 -49.63 77.09 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.543 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.03 -38.15 85.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.429 -177.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 43.5 t -67.05 -20.76 65.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.36 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' B' ' 24' ' ' GLN . 49.4 mtm180 -82.16 -53.55 5.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.282 0.563 . . . . 0.0 109.949 176.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.578 ' HB2' HG23 ' B' ' 31' ' ' VAL . 51.3 p -57.21 -48.12 79.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.121 -171.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.73 20.51 79.79 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.045 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' B' ' 29' ' ' SER . 23.5 t -80.67 -27.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.438 0.637 . . . . 0.0 109.51 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.413 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.6 mp -93.06 152.72 19.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.702 -175.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 40.5 p -83.16 174.37 10.86 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.65 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.3 94.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.91 0.386 . . . . 0.0 110.485 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -57.17 -44.21 83.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.444 177.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.448 ' HA ' HH22 ' A' ' 64' ' ' ARG . 53.3 mt-30 -70.7 -43.59 68.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.057 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 81.3 mmm -63.33 -46.18 87.84 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.377 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -66.44 -28.78 68.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.104 0.478 . . . . 0.0 110.237 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.402 ' OD1' ' HB2' ' A' ' 65' ' ' ALA . 5.5 t70 -68.79 -44.02 74.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.185 176.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' B' ' 43' ' ' MET . 91.6 mtp -66.45 -38.71 87.96 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.948 177.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.1 -41.98 99.63 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.535 175.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.489 ' SD ' ' HG3' ' A' ' 62' ' ' ARG . 52.5 ttp -63.75 -36.46 83.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.941 0.401 . . . . 0.0 110.227 176.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . 0.412 ' HB3' ' O ' ' B' ' 40' ' ' MET . 41.1 ttp -58.56 -49.09 78.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.001 176.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.15 93.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.034 0.445 . . . . 0.0 110.642 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -64.13 -37.89 89.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.444 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -59.23 -46.7 87.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.419 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 39.5 t -62.85 -42.93 98.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.119 0.485 . . . . 0.0 110.094 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -58.92 -43.26 91.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.426 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.487 ' HA ' ' HG2' ' B' ' 52' ' ' GLN . 35.5 m -62.46 -28.72 70.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.443 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -76.12 -23.67 54.9 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.29 -179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 40.2 mtp -82.62 -16.48 48.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.533 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.487 ' HG2' ' HA ' ' B' ' 49' ' ' SER . 11.0 pt20 -93.68 -12.09 30.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.319 0.581 . . . . 0.0 109.765 173.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 45.8 mmtt -78.9 -51.73 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.805 170.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . 0.492 ' HB3' ' HB3' ' B' ' 58' ' ' PRO . 43.9 mtm -91.85 110.37 21.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.448 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.12 -95.8 1.16 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.977 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.21 110.38 2.86 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.865 2.377 . . . . 0.0 112.925 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 59.03 88.79 0.12 Allowed Pre-proline 0 N--CA 1.467 0.41 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.739 175.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.492 ' HB3' ' HB3' ' B' ' 54' ' ' MET . 67.2 Cg_endo -76.83 155.37 34.57 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.311 2.008 . . . . 0.0 113.464 -178.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.458 ' HG2' ' HB2' ' B' ' 62' ' ' ARG . 41.2 Cg_endo -69.62 129.86 18.48 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 123.476 2.784 . . . . 0.0 112.103 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.42 -41.51 98.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.639 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.557 ' O ' ' HB3' ' B' ' 64' ' ' ARG . 22.3 p80 -63.78 -23.12 67.24 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.963 0.411 . . . . 0.0 110.94 -178.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.458 ' HB2' ' HG2' ' B' ' 59' ' ' PRO . 9.2 ttt180 -74.98 -33.31 61.86 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -177.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.27 -30.8 67.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.625 172.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.557 ' HB3' ' O ' ' B' ' 61' ' ' HIS . 1.5 tmm_? -59.01 -45.67 90.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.423 175.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.794 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . . . -68.28 -34.62 76.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.286 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 96.2 mmm -68.52 -30.16 68.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.755 177.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.484 ' HB3' ' O ' ' B' ' 64' ' ' ARG . 13.6 t-20 -56.63 -54.06 50.47 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.45 174.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.452 HG21 ' HB2' ' A' ' 76' ' ' GLU . 4.6 m -63.83 -37.19 86.45 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.734 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.68 -54.72 38.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.989 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 20.8 ttt -57.96 -48.26 80.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.277 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . 0.44 ' HB2' ' CE2' ' B' ' 112' ' ' PHE . . . -62.23 -42.65 99.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.223 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.538 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -67.37 -40.77 85.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.554 ' O ' HG23 ' B' ' 77' ' ' VAL . 42.0 mt-10 -61.92 -51.16 69.28 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.791 178.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 38.7 t -54.96 -48.47 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 111.015 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.88 98.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.037 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.467 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -69.91 -30.26 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.181 179.506 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.554 HG23 ' O ' ' B' ' 73' ' ' GLU . 64.5 t -63.77 -43.22 97.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.074 0.464 . . . . 0.0 110.131 173.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.54 -46.88 68.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.922 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.01 81.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.706 -177.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 11.1 m -83.83 77.53 9.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.277 0.56 . . . . 0.0 110.357 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.0 p -157.84 167.88 13.59 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.117 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.94 142.33 92.6 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.0 1.8 . . . . 0.0 110.776 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -62.75 -20.33 70.8 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.401 2.068 . . . . 0.0 111.995 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -80.42 -15.42 56.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.806 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 21.0 m -112.52 -19.4 12.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.682 -177.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -49.04 -51.31 31.88 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.341 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 32.9 t -61.1 -43.26 99.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.734 0.302 . . . . 0.0 111.002 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.65 84.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.057 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.44 -44.59 98.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.051 0.453 . . . . 0.0 110.079 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.34 -50.74 72.55 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.494 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -59.69 -34.69 73.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.146 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 91.7 m -67.09 -51.39 54.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.486 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.482 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.6 mm -66.02 -46.36 88.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.228 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.6 -40.17 92.1 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.647 -178.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' B' ' 99' ' ' GLU . . . -70.62 -48.88 52.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.805 0.336 . . . . 0.0 110.784 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 61.4 m -71.0 -18.49 62.59 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.681 HD12 HD21 ' B' ' 22' ' ' LEU . 1.1 tp -57.2 -51.53 68.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.547 0.689 . . . . 0.0 109.59 172.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.512 ' HG3' HG21 ' B' ' 108' ' ' VAL . 48.2 ttt180 -59.32 -48.68 80.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.535 177.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' B' ' 95' ' ' ALA . 11.5 mm-40 -59.96 -45.93 91.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.204 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 75.0 m -55.63 -43.96 76.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.106 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.586 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 14.7 mmt -63.24 -40.66 98.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.515 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . 0.46 ' O ' ' HA2' ' B' ' 106' ' ' GLY . 8.9 ttm -70.75 -22.79 62.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.892 0.377 . . . . 0.0 111.273 -177.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -90.11 -34.58 15.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.81 0.338 . . . . 0.0 110.84 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.75 -59.67 2.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.384 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.48 HG21 ' CG2' ' B' ' 8' ' ' ILE . 74.1 p -103.86 -31.1 9.95 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.039 -177.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' B' ' 102' ' ' MET . . . 103.45 -2.04 46.35 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -175.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 6.3 m -136.24 132.22 35.54 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -178.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.586 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 3.1 p -86.8 110.37 20.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.36 0.6 . . . . 0.0 111.218 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -77.14 125.05 28.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.877 173.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -89.2 -16.75 30.58 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.306 -177.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.2 -55.09 15.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.653 -0.248 . . . . 0.0 110.649 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.44 ' CE2' ' HB2' ' B' ' 71' ' ' ALA . 59.4 t80 -63.47 -46.18 87.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.917 0.389 . . . . 0.0 110.202 178.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.573 ' HA ' HD23 ' B' ' 97' ' ' LEU . 90.1 m -58.07 -44.08 87.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.089 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . 0.415 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 11.0 t30 -69.59 -37.97 77.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.94 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -60.02 -42.82 95.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.345 -178.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.489 ' HA ' HD12 ' B' ' 119' ' ' LEU . 77.6 t -60.29 -38.55 77.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.639 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 31.3 mmt -66.41 -38.4 87.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.445 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 45.0 mt-30 -65.66 -45.31 83.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.048 0.451 . . . . 0.0 110.241 177.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' B' ' 116' ' ' VAL . 18.5 mt -58.25 -48.9 78.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.36 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 11.9 p -70.63 -29.62 38.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.621 -174.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -76.74 -39.76 50.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.716 0.293 . . . . 0.0 110.694 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -63.91 -43.46 95.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 80.7 mt -69.45 -10.65 58.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.457 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 26.6 t -107.47 6.25 27.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.078 0.466 . . . . 0.0 110.324 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -96.42 24.89 5.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.169 0.509 . . . . 0.0 111.417 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -73.69 122.38 22.25 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.004 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 22.0 m -74.01 111.68 9.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.453 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.9 38.93 1.0 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.245 0.545 . . . . 0.0 109.534 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -61.07 87.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.87 -177.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -103.97 34.01 3.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.541 0.686 . . . . 0.0 109.7 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 27.7 m -80.58 -20.04 11.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.423 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 14.7 m -102.27 92.9 4.92 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.74 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.935 -179.299 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -105.75 103.91 13.52 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.697 0.284 . . . . 0.0 110.818 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.11 -147.96 40.32 Favored Glycine 0 CA--C 1.518 0.261 0 CA-C-N 116.101 -0.499 . . . . 0.0 113.321 177.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -64.53 129.62 40.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.3 0.572 . . . . 0.0 111.528 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 m -94.13 141.07 28.96 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.541 176.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -107.23 112.11 63.02 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.987 -174.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -61.41 119.32 6.41 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.533 2.156 . . . . 0.0 111.106 175.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.49 HG21 HG21 ' A' ' 105' ' ' THR . 14.6 pt -76.93 7.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.014 -174.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -79.59 67.55 5.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.403 0.62 . . . . 0.0 112.21 -173.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.9 t -126.6 -13.83 5.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.377 170.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -126.21 125.04 24.63 Favored Pre-proline 0 CA--C 1.518 -0.251 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.833 177.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -67.74 -38.94 12.6 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.896 2.398 . . . . 0.0 113.045 -173.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -76.78 -35.34 57.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.788 0.327 . . . . 0.0 110.784 -177.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.05 94.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.05 0.452 . . . . 0.0 110.482 177.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.05 -38.71 75.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.923 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.405 ' HE3' ' HB2' ' A' ' 16' ' ' MET . 52.0 ttm -60.98 -29.17 69.51 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.796 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.9 m -66.99 -35.69 80.5 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.962 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -65.09 -40.89 95.24 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 176.858 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.45 -41.33 96.61 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.65 177.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -62.55 -48.32 80.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -62.65 -32.0 72.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.558 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 18' ' ' MET . 49.4 mt -60.81 -47.13 87.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 111.256 177.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.5 -34.03 67.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.153 0.502 . . . . 0.0 110.31 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -70.31 -41.3 73.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.299 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.605 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 13.8 p -72.66 -34.84 67.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.958 0.409 . . . . 0.0 110.081 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.58 -37.25 86.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.079 0.466 . . . . 0.0 110.659 174.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.7 t -74.74 -23.14 58.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.328 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' A' ' 25' ' ' CYS . 9.8 ptt180 -87.22 -22.95 24.93 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.495 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.8 p -85.56 -59.3 2.35 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.902 0.382 . . . . 0.0 110.456 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.38 17.18 69.5 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.074 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.403 HG11 ' OG1' ' A' ' 92' ' ' THR . 12.4 p -79.59 -22.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.284 0.564 . . . . 0.0 110.138 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.494 ' HG ' HG13 ' A' ' 89' ' ' VAL . 5.1 mp -89.57 156.89 18.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.033 178.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.7 p -80.27 167.14 20.65 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.78 -31.67 72.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.975 0.417 . . . . 0.0 110.004 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.89 -43.51 86.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.713 175.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -74.69 -34.38 62.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.037 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 86.2 mmm -64.77 -42.68 94.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.063 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -70.4 -31.49 68.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.985 0.422 . . . . 0.0 109.942 177.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.493 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -58.16 -50.81 72.21 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.019 175.031 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.596 ' HG3' HG11 ' A' ' 77' ' ' VAL . 90.5 mtp -68.65 -35.09 76.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.126 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.21 -43.31 99.55 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.713 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.0 tmm? -65.95 -33.32 75.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.668 0.27 . . . . 0.0 110.749 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.449 ' O ' HG23 ' A' ' 47' ' ' VAL . 40.6 ttp -57.47 -49.32 76.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.918 0.389 . . . . 0.0 110.572 176.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.4 -36.52 84.2 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.266 0.555 . . . . 0.0 110.427 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.92 -40.65 98.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.683 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.7 t -60.97 -47.35 86.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.374 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 43' ' ' MET . 21.6 t -55.42 -42.77 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-O 120.88 0.372 . . . . 0.0 110.43 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -67.94 -48.13 66.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.289 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.573 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 36.0 p -69.82 -23.71 63.35 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -175.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -76.62 -39.48 52.33 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 174.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 73.6 mmm -61.53 -43.44 98.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.126 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.573 ' HG2' ' HA ' ' A' ' 49' ' ' SER . 20.5 pt20 -71.84 -15.47 62.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.852 0.358 . . . . 0.0 111.379 -178.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -89.11 -8.92 52.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.882 0.372 . . . . 0.0 110.74 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.856 ' SD ' ' HD2' ' A' ' 62' ' ' ARG . 78.1 mtm -106.97 -48.76 3.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.893 0.378 . . . . 0.0 110.918 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.98 -165.61 20.95 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.661 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -67.07 139.14 49.88 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.405 2.07 . . . . 0.0 112.028 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 58.15 76.02 0.5 Allowed Pre-proline 0 N--CA 1.466 0.341 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.96 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -81.99 167.66 16.03 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.517 2.144 . . . . 0.0 112.641 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.5 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 23.8 Cg_exo -61.46 122.53 11.22 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 123.11 2.54 . . . . 0.0 111.791 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -62.53 -33.78 75.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.088 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -34.21 73.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.304 0.573 . . . . 0.0 110.376 178.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.856 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 41.7 ttm-85 -73.85 -32.55 63.71 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.621 -178.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.69 -32.14 72.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.929 176.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.1 mtm105 -58.14 -48.57 79.83 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 173.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.538 ' HA ' ' HG3' ' B' ' 76' ' ' GLU . . . -62.4 -37.05 84.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.217 178.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.557 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 96.1 mmm -59.24 -33.94 71.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -53.52 -55.57 24.34 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 173.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.527 HG22 ' HB1' ' B' ' 72' ' ' ALA . 19.7 m -65.83 -42.08 90.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.121 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' A' ' 73' ' ' GLU . . . -58.02 -56.39 22.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.482 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.4 ttt -60.03 -45.14 93.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.289 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.19 99.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.546 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -63.76 -41.4 97.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.955 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.577 ' O ' HG23 ' A' ' 77' ' ' VAL . 12.3 mm-40 -58.22 -52.15 66.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.027 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 78' ' ' VAL . 53.9 t -55.94 -47.32 80.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 111.102 179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.64 96.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -61.63 -42.99 99.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.045 178.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.596 HG11 ' HG3' ' A' ' 40' ' ' MET . 91.9 t -61.44 -44.24 98.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.12 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 74' ' ' VAL . 78.2 t -68.68 -40.37 81.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.146 -178.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.89 -21.42 66.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.745 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.3 m -89.94 77.33 6.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.352 0.596 . . . . 0.0 110.434 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.7 p -158.57 161.45 28.42 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.593 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.54 ' HD2' ' HB3' ' A' ' 85' ' ' SER . 26.1 Cg_exo -63.91 155.84 61.74 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.201 1.934 . . . . 0.0 110.904 175.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -57.67 -36.1 98.6 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.352 2.035 . . . . 0.0 112.122 -174.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -76.6 -21.24 55.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.684 -178.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.54 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 18.0 t -101.63 -21.62 14.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.826 0.346 . . . . 0.0 110.76 -175.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -51.43 -52.14 48.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.05 -177.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.0 t -71.52 -24.89 62.04 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.087 -177.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.2 -47.01 53.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.116 0.484 . . . . 0.0 110.068 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.494 HG13 ' HG ' ' A' ' 32' ' ' LEU . 73.0 t -62.73 -44.92 99.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.097 175.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.4 -50.15 75.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.84 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -57.49 -34.7 69.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.945 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.403 ' OG1' HG11 ' A' ' 31' ' ' VAL . 39.9 m -71.06 -53.42 14.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.435 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.5 ' HA ' HD13 ' A' ' 93' ' ' ILE . 1.6 mm -59.83 -43.5 92.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.063 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.12 -35.02 63.21 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.57 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.21 -36.24 47.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.923 0.392 . . . . 0.0 110.643 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.544 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 86.3 m -63.1 -40.32 97.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.293 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.962 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 9.5 mp -59.71 -33.4 71.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.13 0.49 . . . . 0.0 110.798 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.486 ' HG3' HG21 ' A' ' 108' ' ' VAL . 64.0 ttt180 -66.92 -49.53 65.24 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.687 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.544 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 11.0 pt-20 -74.52 -37.21 63.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.838 -175.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 66.4 m -59.83 -41.21 90.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.71 0.29 . . . . 0.0 110.767 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 14.8 mmt -66.4 -41.53 89.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.728 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.7 ttm -68.05 -28.79 67.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.245 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -83.0 -34.97 26.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.941 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.27 -50.4 16.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.658 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.49 HG21 HG21 ' A' ' 8' ' ' ILE . 75.2 p -108.78 -47.12 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.21 0.529 . . . . 0.0 111.079 -177.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 130.68 -8.97 5.82 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.569 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.1 m -138.25 148.14 44.42 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.486 HG21 ' HG3' ' A' ' 98' ' ' ARG . 2.4 p -88.68 111.16 22.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.345 0.593 . . . . 0.0 111.158 179.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -74.51 125.98 29.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.114 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -86.22 -20.41 28.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.421 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.01 -53.32 55.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.653 0.263 . . . . 0.0 110.852 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -68.42 -45.54 72.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.042 0.449 . . . . 0.0 110.329 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.709 ' HA ' HD23 ' A' ' 97' ' ' LEU . 19.5 m -58.92 -41.65 87.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.707 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 10.2 t30 -71.94 -39.57 69.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.662 0.267 . . . . 0.0 110.499 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -55.54 -44.86 77.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.749 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.551 HG21 HD21 ' A' ' 97' ' ' LEU . 66.1 t -65.63 -35.61 75.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.958 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 30.5 mmt -65.85 -36.86 84.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.908 0.385 . . . . 0.0 110.247 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 114' ' ' ASN . 43.7 mt-30 -69.5 -46.78 65.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.968 176.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 116' ' ' VAL . 13.7 mt -54.81 -51.36 66.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.882 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.3 p -68.29 -31.08 50.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.608 -173.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -76.67 -37.59 55.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.001 0.429 . . . . 0.0 110.349 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 41.9 ttp -63.91 -45.36 89.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.688 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.39 -18.29 61.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.25 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.3 t -94.54 4.59 53.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.06 0.457 . . . . 0.0 110.406 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -96.96 75.03 2.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.3 0.571 . . . . 0.0 111.057 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -64.76 107.87 1.57 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.486 175.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.4 p -130.19 130.64 44.95 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.751 -176.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -160.85 76.04 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.023 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -74.29 161.31 30.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.36 173.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -69.04 112.04 5.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.609 0.718 . . . . 0.0 111.485 -175.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 29.2 m -97.58 5.47 9.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.579 172.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.4 p -76.35 159.82 30.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.02 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.713 -178.602 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 N-CA-C 112.072 -0.411 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.8 m -147.7 142.22 26.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.722 0.296 . . . . 0.0 110.658 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.31 -120.14 6.7 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.131 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -78.53 159.49 28.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.792 0.329 . . . . 0.0 110.921 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -98.31 137.32 37.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.982 0.42 . . . . 0.0 110.763 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.41 ' HA ' ' HD2' ' B' ' 7' ' ' PRO . 11.5 pt20 -143.59 99.48 5.25 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-O 121.261 0.553 . . . . 0.0 110.369 178.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' B' ' 6' ' ' GLN . 13.5 Cg_endo -57.64 128.43 29.21 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 123.016 2.477 . . . . 0.0 111.908 -178.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.473 HG21 HG21 ' B' ' 105' ' ' THR . 19.4 pt -72.3 6.8 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.801 -176.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -77.59 7.64 5.34 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -173.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.7 t -81.49 -12.72 58.76 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 171.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -121.94 104.94 38.16 Favored Pre-proline 0 C--O 1.234 0.272 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.717 173.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -62.31 -35.43 73.48 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.831 2.354 . . . . 0.0 112.257 -175.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -69.81 -41.51 74.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.496 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.3 -44.79 82.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.503 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.16 99.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.127 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.9 ttm -62.67 -30.99 71.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.786 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.6 m -67.48 -34.57 77.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.112 0.482 . . . . 0.0 109.877 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 1.011 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -63.61 -44.4 94.06 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.182 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -59.56 -44.26 93.32 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.187 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -63.69 -47.74 79.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.267 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -65.74 -27.79 68.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.645 -176.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.431 HD12 ' HE3' ' B' ' 70' ' ' MET . 19.4 mt -61.25 -47.18 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.626 175.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.56 -41.32 91.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.4 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -63.61 -44.34 94.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.681 177.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 0.514 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 42.7 t -64.42 -36.23 83.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.115 0.483 . . . . 0.0 110.561 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.483 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -71.22 -37.61 72.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.003 0.43 . . . . 0.0 111.062 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 45.1 t -72.03 -31.29 66.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.514 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 26.3 ptt180 -80.73 -19.62 44.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.611 0.243 . . . . 0.0 110.997 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 12.3 p -89.93 -49.27 6.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.015 0.436 . . . . 0.0 110.414 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.08 24.27 74.11 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.045 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 11.7 p -90.57 -9.85 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.165 0.507 . . . . 0.0 110.385 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.5 mp -102.13 151.23 22.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.397 178.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 62.1 p -86.31 -179.5 6.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.908 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.14 94.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.766 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -57.98 -49.96 75.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.448 0.642 . . . . 0.0 109.558 178.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.566 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 43.0 mt-30 -67.26 -46.75 72.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.325 -177.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 90.1 mmm -63.57 -45.0 92.45 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 111.55 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -65.84 -35.27 80.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -72.0 -38.77 69.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.998 0.428 . . . . 0.0 110.542 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.523 ' HG3' HG11 ' B' ' 77' ' ' VAL . 85.9 mtp -65.47 -33.04 74.99 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.147 174.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.04 -41.79 96.65 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.553 172.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.579 ' SD ' ' HD3' ' A' ' 62' ' ' ARG . 52.7 ttp -65.07 -34.27 78.02 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 120.595 0.236 . . . . 0.0 110.735 176.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . 0.523 ' SD ' ' HG3' ' B' ' 70' ' ' MET . 47.6 ttp -54.47 -51.04 66.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.975 0.417 . . . . 0.0 110.338 176.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.51 99.48 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.96 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.75 -41.65 97.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.183 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 30.0 t -56.77 -51.53 68.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.622 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.476 HG23 ' O ' ' B' ' 43' ' ' MET . 10.6 t -60.3 -41.56 87.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.618 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -67.85 -50.73 54.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.694 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.496 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 63.4 p -68.93 -24.99 64.35 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -171.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -86.75 -32.62 20.31 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.549 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 58.7 mmm -69.05 -39.16 79.32 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.152 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -66.54 -26.25 67.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.093 0.473 . . . . 0.0 110.542 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' B' ' 49' ' ' SER . 32.9 mtmm -85.24 -12.99 51.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.587 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 72.6 mtm -105.07 -40.7 5.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.334 . . . . 0.0 111.199 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.85 -157.78 28.84 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.723 176.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.36 141.67 47.52 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.788 2.325 . . . . 0.0 112.475 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 49.93 75.78 0.62 Allowed Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.428 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -83.11 172.34 10.83 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 122.484 2.123 . . . . 0.0 111.879 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.613 ' HG2' ' CZ ' ' B' ' 62' ' ' ARG . 23.1 Cg_exo -63.14 119.1 6.04 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.607 2.205 . . . . 0.0 111.161 175.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.92 -28.34 64.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.197 -176.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.664 ' HA ' ' HG3' ' B' ' 64' ' ' ARG . 11.4 p80 -71.47 -32.23 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.405 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.661 ' O ' ' HG2' ' B' ' 66' ' ' MET . 41.5 mtm-85 -73.81 -21.06 60.27 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.163 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.16 -32.53 63.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.761 171.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.664 ' HG3' ' HA ' ' B' ' 61' ' ' HIS . 29.4 mtm105 -53.17 -53.72 46.48 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.271 0.558 . . . . 0.0 109.577 173.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.93 94.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.725 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.661 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 92.6 mmm -58.38 -32.42 68.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.377 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -54.13 -55.17 30.31 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.143 0.497 . . . . 0.0 110.393 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.546 HG22 ' HB1' ' A' ' 72' ' ' ALA . 26.6 m -74.09 -32.91 63.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.181 -177.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.28 -53.8 54.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.98 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . 0.523 ' HG3' ' SD ' ' B' ' 43' ' ' MET . 20.2 ttt -60.34 -45.37 93.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.834 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.6 99.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.288 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.527 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -64.75 -38.77 92.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.23 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.47 -39.03 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.407 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.454 ' O ' HG23 ' B' ' 78' ' ' VAL . 71.5 t -66.38 -41.66 89.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.056 0.455 . . . . 0.0 110.516 176.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.31 -38.28 90.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.502 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.538 ' HG3' ' HA ' ' A' ' 65' ' ' ALA . 3.5 tm-20 -55.13 -53.7 52.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.211 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.523 HG11 ' HG3' ' B' ' 40' ' ' MET . 33.7 m -68.75 -34.8 66.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.174 -174.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 74' ' ' VAL . 96.4 t -70.56 -37.79 71.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.987 0.422 . . . . 0.0 110.425 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' B' ' 86' ' ' TYR . . . -72.98 -35.96 67.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.807 -177.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 27.5 m -85.85 78.81 9.44 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.604 0.716 . . . . 0.0 110.244 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 52.1 p -149.76 162.96 26.63 Favored Pre-proline 0 C--N 1.317 -0.847 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.868 176.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -64.23 139.78 67.8 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.731 1.621 . . . . 0.0 110.403 175.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -45.4 -38.09 15.21 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.371 2.714 . . . . 0.0 112.947 -176.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -66.4 -50.1 64.61 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.54 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.411 ' O ' HG23 ' B' ' 89' ' ' VAL . 47.8 m -83.4 -9.86 58.77 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.112 -172.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . 0.431 ' OH ' HG22 ' B' ' 120' ' ' VAL . 18.8 t80 -51.7 -53.65 36.91 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 111.261 -179.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 34.8 t -60.07 -40.27 88.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.928 -177.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.4 92.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.78 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 85' ' ' SER . 65.8 t -64.79 -46.46 91.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.493 178.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 tt -58.5 -50.44 73.76 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.686 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -60.55 -38.86 85.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.06 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 93.9 m -64.41 -56.25 15.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.722 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.469 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -59.32 -42.01 85.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.192 -179.001 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.92 -41.48 76.76 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.999 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.43 65.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.751 0.31 . . . . 0.0 110.64 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 88.6 m -58.68 -34.79 71.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.785 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 1.011 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 7.6 mp -66.11 -43.82 86.12 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.647 0.26 . . . . 0.0 111.11 178.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.513 ' HG3' HG21 ' B' ' 108' ' ' VAL . 20.8 ttt180 -60.6 -40.68 92.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.115 0.483 . . . . 0.0 110.08 176.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.96 -55.56 24.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.314 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 42.3 m -56.99 -42.26 79.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.016 -174.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.563 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 15.7 mmt -63.05 -38.03 89.55 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.011 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 3.2 ttm -68.54 -35.1 76.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.944 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -81.75 -35.13 30.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.985 0.421 . . . . 0.0 110.791 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.0 -54.75 8.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.695 -176.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.473 HG21 HG21 ' B' ' 8' ' ' ILE . 81.8 p -107.51 -49.66 3.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.136 0.493 . . . . 0.0 110.682 -177.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 131.53 -20.74 4.61 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -175.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 16.2 m -120.77 139.5 53.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.563 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 2.9 p -90.5 108.06 19.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.399 0.619 . . . . 0.0 111.204 -177.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -71.75 130.31 40.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.38 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -92.19 -17.4 24.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.362 -177.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.72 -53.0 54.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.652 0.263 . . . . 0.0 110.774 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -68.18 -45.94 72.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.427 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.704 ' HA ' HD23 ' B' ' 97' ' ' LEU . 22.8 m -56.73 -41.01 76.74 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.728 178.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . 0.416 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 55.7 t30 -71.85 -41.15 68.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 0.0 110.494 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -53.33 -44.98 68.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.141 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.542 HG21 HD21 ' B' ' 97' ' ' LEU . 94.0 t -66.1 -36.74 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 29.0 mmt -65.06 -39.96 94.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.07 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 44.1 mt-30 -68.45 -43.38 77.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.224 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' B' ' 116' ' ' VAL . 17.4 mt -56.62 -51.23 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.616 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . 0.431 HG22 ' OH ' ' B' ' 86' ' ' TYR . 11.4 p -67.85 -35.95 74.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.47 -174.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -67.44 -40.73 85.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.089 0.471 . . . . 0.0 110.402 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.411 ' HE1' ' CD2' ' A' ' 119' ' ' LEU . 38.7 ttp -65.86 -43.78 87.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.986 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 90.6 mt -74.9 -11.41 60.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 110.83 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 29.6 t -89.9 0.45 57.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.358 177.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -137.22 91.19 2.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.017 0.437 . . . . 0.0 111.404 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -84.27 138.65 32.82 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 5.8 p -68.28 96.91 0.69 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.355 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.45 5.95 47.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.34 0.591 . . . . 0.0 109.976 176.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -66.66 110.27 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.033 174.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -73.06 111.81 8.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.222 0.534 . . . . 0.0 111.348 -172.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 35.7 m -85.91 -11.98 11.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.047 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 12.3 p -96.95 105.87 18.1 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.858 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--O 1.246 0.913 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.556 -178.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 111.951 -0.459 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 m -84.96 71.52 10.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.184 0.516 . . . . 0.0 110.341 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.09 -172.85 13.25 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.88 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -99.44 -49.09 4.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.936 0.398 . . . . 0.0 110.338 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 p -129.44 120.45 25.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.78 -175.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.415 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 15.0 pt20 -154.27 128.78 4.75 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.045 174.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 12.0 Cg_exo -71.01 178.61 5.15 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.882 2.388 . . . . 0.0 112.269 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.525 HG21 HG21 ' A' ' 105' ' ' THR . 5.7 pt -77.36 -10.22 12.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -73.54 85.88 1.57 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.818 0.818 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -164.37 -28.29 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.008 -1.451 . . . . 0.0 107.987 177.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -109.9 112.82 57.8 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.007 171.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -65.03 -40.63 19.64 Favored 'Trans proline' 0 C--N 1.331 -0.349 0 C-N-CA 122.862 2.375 . . . . 0.0 113.001 -170.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -65.66 -34.98 79.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.739 0.304 . . . . 0.0 110.705 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.43 -44.41 75.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.554 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.35 91.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.665 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 43.2 ttm -63.1 -28.76 70.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.9 m -64.01 -37.78 88.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.852 176.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.406 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 0.4 OUTLIER -65.83 -39.49 90.88 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.459 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.46 -41.65 97.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.801 177.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -71.45 -42.01 68.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.162 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -61.49 -33.08 73.18 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.209 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.715 HD21 HD12 ' A' ' 97' ' ' LEU . 46.8 mt -60.81 -40.8 94.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.732 176.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.34 -35.93 72.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.302 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -59.5 -52.0 67.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.467 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.55 -38.89 65.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.059 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.28 -42.28 90.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.425 . . . . 0.0 111.364 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.5 t -68.44 -21.59 64.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.527 -176.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 28' ' ' ARG . 10.2 ptp180 -106.01 -4.79 20.11 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.922 -178.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.7 p -85.23 -45.86 11.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.125 0.488 . . . . 0.0 109.78 176.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.4 90.12 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.58 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.5 p -76.24 -19.16 15.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.023 0.439 . . . . 0.0 110.39 -179.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mp -98.16 160.14 14.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.011 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.9 p -92.8 176.78 6.31 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.551 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.19 -40.87 96.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.12 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' CG ' HH21 ' B' ' 64' ' ' ARG . 11.2 t70 -61.76 -41.78 98.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.209 0.528 . . . . 0.0 110.089 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.613 ' HB3' HG13 ' A' ' 77' ' ' VAL . 54.0 mt-30 -66.62 -48.4 69.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.635 177.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 76.7 mmm -62.35 -42.54 99.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.591 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -66.19 -35.87 81.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 42' ' ' MET . 9.6 t70 -72.06 -33.94 68.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.232 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mtp -65.84 -36.49 83.61 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.064 0.459 . . . . 0.0 109.88 173.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.03 -37.16 94.49 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 173.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.408 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 18.6 tmm? -62.07 -42.65 99.42 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 175.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.428 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 37.9 ttp -55.55 -45.43 77.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.261 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.98 89.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.325 177.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -68.03 -42.18 81.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.735 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.2 p -62.51 -45.88 90.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.598 0.237 . . . . 0.0 110.867 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.3 t -65.05 -42.16 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.245 0.545 . . . . 0.0 110.037 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -60.54 -52.93 63.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.476 -178.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.645 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 35.2 m -60.05 -45.55 92.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.422 -175.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -62.53 -31.97 72.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.233 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.9 mmm -73.49 -26.18 60.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.86 0.362 . . . . 0.0 111.065 176.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -82.93 -25.64 32.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.41 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.645 ' HG2' ' O ' ' A' ' 49' ' ' SER . 1.6 mmmp? -75.05 -19.82 59.84 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.417 ' SD ' ' HD2' ' A' ' 62' ' ' ARG . 65.1 mtm -109.03 -168.66 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.145 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.64 -148.43 5.04 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.643 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.55 136.6 43.36 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.441 2.094 . . . . 0.0 111.762 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 63.18 86.17 0.15 Allowed Pre-proline 0 N--CA 1.464 0.255 0 O-C-N 123.603 0.565 . . . . 0.0 111.054 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -86.35 164.65 9.63 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.045 2.496 . . . . 0.0 112.329 178.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.1 139.68 47.33 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.574 2.183 . . . . 0.0 112.19 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -61.87 -25.04 67.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.485 -178.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.467 ' HE1' ' HA ' ' B' ' 35' ' ' ASP . 58.9 m-70 -55.5 -58.09 9.19 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.208 0.528 . . . . 0.0 109.956 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.635 ' HG2' ' HG3' ' B' ' 42' ' ' MET . 66.4 mtt180 -64.13 -36.81 85.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.17 -176.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 67.5 mt -60.24 -52.62 64.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.744 0.307 . . . . 0.0 111.001 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 21.5 ptt180 -65.78 -33.23 75.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.6 -177.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.73 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -73.52 -46.27 48.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.659 -178.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.585 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 92.8 mmm -66.08 -24.47 66.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.818 -177.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -53.29 -55.76 22.07 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.529 173.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.0 m -76.8 -34.54 57.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.012 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.537 ' HB3' ' HA ' ' A' ' 66' ' ' MET . . . -58.03 -51.62 68.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.29 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.3 ttt -59.24 -41.39 88.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 110.781 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.17 -43.19 98.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.99 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.91 -33.88 76.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.927 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 45.4 mt-10 -64.84 -27.53 68.94 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 179.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.5 t -80.3 -44.41 22.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.096 0.474 . . . . 0.0 110.223 174.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.83 92.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.718 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -60.08 -38.61 83.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.973 0.416 . . . . 0.0 110.707 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.613 HG13 ' HB3' ' A' ' 36' ' ' GLN . 54.7 t -67.4 -43.6 87.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.779 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.58 -42.81 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.088 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.41 -30.64 71.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.532 -178.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.4 m -85.7 76.73 9.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.318 0.58 . . . . 0.0 110.363 178.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 61.4 p -154.01 167.72 13.18 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.637 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.68 145.32 99.07 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.263 1.975 . . . . 0.0 111.053 174.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.23 -17.67 44.98 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.178 1.919 . . . . 0.0 112.329 -172.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -93.9 -1.54 54.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.095 0.474 . . . . 0.0 110.364 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.4 m -122.43 -1.49 9.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.024 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -58.29 -47.07 84.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.363 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.1 t -66.92 -35.24 79.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.987 0.422 . . . . 0.0 110.163 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.52 -49.86 69.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.89 -44.61 96.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.477 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.5 -52.25 66.16 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.706 -178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -59.18 -43.74 92.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.23 -178.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.3 m -58.24 -46.23 86.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.5 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.504 ' HA ' HD13 ' A' ' 93' ' ' ILE . 0.8 OUTLIER -68.68 -42.74 83.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 177.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.92 -40.42 95.29 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.057 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' ' 99' ' ' GLU . . . -66.63 -46.83 74.53 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 174.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.8 m -54.91 -45.87 74.79 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.448 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.715 HD12 HD21 ' A' ' 22' ' ' LEU . 3.6 mp -49.52 -49.97 43.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.987 0.423 . . . . 0.0 111.349 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.511 ' HG3' HG21 ' A' ' 108' ' ' VAL . 80.4 ttt180 -65.08 -49.23 70.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.909 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 95' ' ' ALA . 22.2 mm-40 -63.42 -47.41 82.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.026 -179.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.6 m -56.44 -46.4 80.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.36 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.56 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 14.1 mmt -59.56 -50.28 74.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.795 0.331 . . . . 0.0 110.655 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 15.1 ttm -63.1 -38.23 90.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.56 -175.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -84.48 -9.26 58.53 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -177.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.32 -48.35 5.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.948 0.404 . . . . 0.0 111.414 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.525 HG21 HG21 ' A' ' 8' ' ' ILE . 65.4 p -111.17 -14.65 13.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.047 0.451 . . . . 0.0 111.745 -173.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.25 1.29 66.92 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.854 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.4 m -149.71 159.24 44.5 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.56 ' HA ' ' HB3' ' A' ' 101' ' ' MET . 7.7 p -107.3 116.37 50.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.413 0.625 . . . . 0.0 111.066 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -78.33 134.23 37.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.096 175.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -94.32 -23.35 17.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.726 -178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.96 61.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.737 -176.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.468 ' O ' HG23 ' A' ' 116' ' ' VAL . 79.3 t80 -68.2 -49.25 62.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.704 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.63 ' HA ' HD23 ' A' ' 97' ' ' LEU . 43.8 m -57.46 -42.41 82.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.475 -177.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -71.56 -39.75 70.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.66 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -59.33 -42.59 91.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 112' ' ' PHE . 58.4 t -59.57 -39.75 80.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.984 0.421 . . . . 0.0 110.752 177.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 27.3 mmt -66.72 -42.19 86.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.245 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -66.98 -44.02 81.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.472 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 24.1 mt -56.41 -50.04 72.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.405 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 12.9 p -70.52 -32.18 48.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.552 -174.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -71.13 -38.06 72.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.922 0.391 . . . . 0.0 110.292 177.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 38.2 ttp -65.87 -39.98 91.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.899 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.7 mt -71.67 -15.8 62.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 t -95.98 16.75 16.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.368 0.604 . . . . 0.0 109.92 178.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -103.11 34.35 2.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.357 0.598 . . . . 0.0 110.361 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -60.64 136.15 57.98 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.328 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.9 p -82.94 108.24 16.12 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.905 171.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.16 24.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.098 0.475 . . . . 0.0 111.922 -175.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -99.68 125.75 45.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.822 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -72.83 116.43 13.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.392 0.615 . . . . 0.0 110.533 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 30.1 m -87.86 1.87 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.029 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -148.59 -179.2 6.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.344 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 38.2 m . . . . . 0 C--N 1.323 -0.563 0 CA-C-O 120.569 0.223 . . . . 0.0 110.84 178.526 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.502 0 N-CA-C 112.135 -0.386 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.6 p -119.5 153.91 34.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.629 0.252 . . . . 0.0 110.558 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.7 -165.27 25.09 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.609 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -66.42 -41.29 89.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.421 0.629 . . . . 0.0 109.625 177.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -154.77 143.86 21.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.092 174.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.451 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 0.6 OUTLIER -119.0 125.96 27.37 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-O 120.749 0.309 . . . . 0.0 111.043 -178.163 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' B' ' 6' ' ' GLN . 9.9 Cg_exo -72.26 145.71 44.12 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.816 2.344 . . . . 0.0 111.382 176.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.798 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.5 pp -76.35 -9.24 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.955 0.407 . . . . 0.0 111.502 -176.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -77.37 23.36 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.025 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.49 HG23 ' ND2' ' B' ' 11' ' ' ASN . 8.8 t -86.77 -5.48 59.1 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 172.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.49 ' ND2' HG23 ' B' ' 10' ' ' THR . 56.8 m-80 -135.56 115.54 11.57 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.635 175.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -68.97 -42.98 3.68 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 123.02 2.48 . . . . 0.0 113.34 -173.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -69.8 -29.53 66.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.287 0.565 . . . . 0.0 110.072 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.07 74.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.182 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.99 83.96 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.755 177.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' MET . . . . . 0.546 ' HE1' ' HA ' ' B' ' 48' ' ' ASN . 41.7 ttm -60.86 -30.74 70.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.989 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 52.3 m -68.1 -33.19 74.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.015 178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 1.102 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.3 OUTLIER -67.43 -41.36 84.94 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.79 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -43.42 98.9 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.426 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -66.26 -45.23 81.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.81 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.535 ' HA ' ' CG ' ' B' ' 24' ' ' GLN . 85.9 m-20 -65.75 -24.92 67.06 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.508 -178.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.476 HD21 ' HA ' ' B' ' 97' ' ' LEU . 32.7 mt -68.01 -45.89 72.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.999 0.428 . . . . 0.0 110.09 172.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 46.3 t -60.07 -49.78 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.423 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.535 ' CG ' ' HA ' ' B' ' 21' ' ' ASN . 3.7 pp0? -62.76 -36.11 81.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.872 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 38.2 t -71.28 -40.17 71.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.25 0.548 . . . . 0.0 110.098 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -65.89 -38.12 87.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.455 0.645 . . . . 0.0 110.768 175.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 34.9 t -66.75 -36.11 81.67 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.408 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' B' ' 24' ' ' GLN . 10.8 ptp180 -92.04 0.22 57.47 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -177.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 21.2 p -95.59 -42.62 8.32 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.296 175.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.43 31.63 60.79 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.602 176.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.437 HG13 HD12 ' B' ' 32' ' ' LEU . 14.7 p -103.04 -8.97 9.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.237 0.542 . . . . 0.0 110.393 178.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.5 HD13 ' HB1' ' B' ' 26' ' ' ALA . 5.3 mp -107.03 153.89 21.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.367 178.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 73.5 p -86.01 174.76 8.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.51 178.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.56 -33.15 75.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.738 0.304 . . . . 0.0 110.982 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.467 ' HA ' ' HE1' ' A' ' 61' ' ' HIS . 28.5 t0 -62.08 -45.6 92.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.145 0.497 . . . . 0.0 109.743 177.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.453 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 52.2 mt-30 -68.69 -44.91 72.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.702 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 79.6 mmm -62.16 -49.0 77.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.831 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.43 -28.99 66.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 110.608 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' B' ' 35' ' ' ASP . 26.6 t0 -65.26 -43.33 91.63 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.2 mtp -67.3 -35.9 80.42 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.399 175.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.72 -41.53 99.05 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.429 -0.669 . . . . 0.0 111.429 175.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.635 ' HG3' ' HG2' ' A' ' 62' ' ' ARG . 17.9 tmm? -63.17 -39.01 93.43 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 176.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . 0.543 ' O ' HG23 ' B' ' 47' ' ' VAL . 35.0 ttp -56.55 -47.39 79.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.126 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.45 87.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.179 0.514 . . . . 0.0 110.264 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.31 -43.35 86.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.683 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.4 p -65.03 -42.01 94.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.442 0.163 . . . . 0.0 111.206 -178.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.543 HG23 ' O ' ' B' ' 43' ' ' MET . 40.1 t -61.19 -46.82 95.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 121.264 0.554 . . . . 0.0 110.106 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.546 ' HA ' ' HE1' ' B' ' 16' ' ' MET . 57.0 t30 -68.76 -35.09 76.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.237 -176.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 66.9 m -72.42 -23.87 61.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.392 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -79.23 -15.64 57.71 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.658 174.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 95.7 mmm -79.06 -10.54 59.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.372 0.606 . . . . 0.0 109.686 172.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.403 ' HB2' HE21 ' B' ' 52' ' ' GLN . 10.9 mt-30 -88.64 -34.22 17.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 170.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.417 ' HE3' ' HB3' ' B' ' 53' ' ' LYS . 27.2 mmmt -67.99 -40.15 83.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.869 175.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . 0.724 ' SD ' ' HB3' ' B' ' 58' ' ' PRO . 63.9 mtm -95.44 131.94 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.209 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -93.3 -118.11 2.69 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.693 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.2 108.92 2.58 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 122.747 2.298 . . . . 0.0 112.842 -176.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.429 HD22 ' N ' ' B' ' 57' ' ' ASN . 0.9 OUTLIER 65.17 92.08 0.07 OUTLIER Pre-proline 0 N--CA 1.468 0.461 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.194 179.153 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.724 ' HB3' ' SD ' ' B' ' 54' ' ' MET . 33.2 Cg_exo -60.07 157.57 33.81 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 123.188 2.592 . . . . 0.0 113.519 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.497 ' HD2' ' SD ' ' B' ' 54' ' ' MET . 19.2 Cg_endo -62.56 125.01 15.22 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 123.316 2.677 . . . . 0.0 111.716 176.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -51.4 -40.88 60.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.378 -178.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.488 ' HA ' ' HG2' ' B' ' 64' ' ' ARG . 2.0 p-80 -66.92 -31.32 71.83 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.256 -0.578 . . . . 0.0 111.734 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.703 ' HD3' ' SD ' ' B' ' 54' ' ' MET . 34.6 ttt180 -74.86 -25.47 59.0 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.151 -0.62 . . . . 0.0 109.475 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 86.0 mt -71.29 -51.2 25.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.249 175.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.488 ' HG2' ' HA ' ' B' ' 61' ' ' HIS . 10.2 ptt180 -68.88 -22.26 64.2 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.806 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.02 -50.88 37.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.238 0.542 . . . . 0.0 110.345 174.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 94.9 mmm -64.95 -21.58 66.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.289 -178.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -56.13 -46.31 79.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.267 171.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.485 ' HA ' ' OE1' ' B' ' 115' ' ' GLU . 57.6 m -80.1 -37.59 33.38 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.697 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.508 ' HB3' ' HA ' ' B' ' 66' ' ' MET . . . -61.06 -52.06 66.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.483 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 19.5 ttt -59.72 -43.02 94.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.951 0.405 . . . . 0.0 110.698 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.32 -43.55 97.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.973 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.69 95.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.921 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.51 ' O ' HG23 ' B' ' 77' ' ' VAL . 43.1 mt-10 -62.38 -46.58 87.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.559 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 44.3 t -60.19 -48.61 87.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.743 0.306 . . . . 0.0 110.873 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.19 -40.41 89.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.804 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.73 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 24.4 tt0 -59.15 -49.15 78.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.55 176.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.51 HG23 ' O ' ' B' ' 73' ' ' GLU . 72.6 t -56.61 -39.61 63.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.215 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.3 t -75.35 -46.72 37.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.176 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.21 -38.68 85.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.515 -177.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 5.1 m -83.99 68.02 9.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.395 0.616 . . . . 0.0 110.443 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.0 p -144.91 171.69 6.29 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.859 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.3 137.18 59.35 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 121.535 1.49 . . . . 0.0 110.422 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.16 -21.01 57.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.753 2.302 . . . . 0.0 111.849 -175.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -65.51 -50.4 65.41 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.557 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.443 ' O ' HG23 ' B' ' 89' ' ' VAL . 45.5 m -91.27 -9.88 43.48 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.263 -175.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -47.11 -59.74 2.94 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.257 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 40.5 m -58.7 -36.02 73.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.726 -175.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.79 -46.56 57.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.14 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 85' ' ' SER . 87.1 t -59.14 -42.66 87.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.204 0.525 . . . . 0.0 109.924 177.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.68 -51.63 69.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.694 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -60.09 -38.74 83.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.604 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 84.2 m -64.51 -53.7 44.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.77 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.51 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.7 OUTLIER -60.05 -44.93 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.06 179.694 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.97 -43.05 87.89 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.394 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.08 -41.4 74.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.671 0.272 . . . . 0.0 110.746 178.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 94.7 m -62.3 -34.48 76.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.334 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 1.102 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 2.5 mp -58.58 -51.58 69.31 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.701 0.286 . . . . 0.0 111.327 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.518 ' HG3' HG21 ' B' ' 108' ' ' VAL . 39.4 ttp180 -55.92 -45.8 78.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.513 -178.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.57 -47.29 70.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.931 -177.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 58.1 m -55.88 -42.13 75.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.528 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.522 ' SD ' ' HG3' ' B' ' 18' ' ' MET . 13.9 mmt -63.56 -44.03 95.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.906 0.384 . . . . 0.0 110.911 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 23.9 ttm -68.45 -26.18 65.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.117 -177.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -85.75 -34.36 21.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.822 0.344 . . . . 0.0 110.968 178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.09 -53.84 8.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.384 -177.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.798 HG21 ' HB ' ' B' ' 8' ' ' ILE . 81.4 p -103.57 -48.62 3.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.241 0.543 . . . . 0.0 110.691 -177.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.98 -0.69 6.68 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.482 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 48.3 m -147.91 149.2 31.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.518 HG21 ' HG3' ' B' ' 98' ' ' ARG . 2.9 p -85.61 111.08 20.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.383 0.611 . . . . 0.0 111.537 -176.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -68.3 111.85 4.84 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.726 175.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.22 -28.45 42.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.42 -175.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.97 87.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.965 0.412 . . . . 0.0 110.716 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.401 ' O ' HG23 ' B' ' 116' ' ' VAL . 81.5 t80 -69.06 -51.97 33.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.416 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.602 ' HA ' HD23 ' B' ' 97' ' ' LEU . 15.2 m -57.96 -32.72 68.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.765 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -70.74 -47.02 61.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.607 0.241 . . . . 0.0 110.842 178.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.485 ' OE1' ' HA ' ' B' ' 68' ' ' THR . 23.2 tt0 -58.58 -44.32 89.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 -176.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.523 HG21 HD21 ' B' ' 97' ' ' LEU . 64.8 t -59.47 -39.54 79.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.759 -178.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 28.2 mmt -68.01 -39.34 83.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.961 0.41 . . . . 0.0 110.547 -175.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -76.38 -34.91 58.88 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.264 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.87 -51.08 71.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.055 176.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.39 -37.51 79.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.091 -175.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -63.86 -40.69 97.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.939 0.4 . . . . 0.0 110.562 177.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 45.8 ttp -68.87 -44.28 73.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.889 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 89.2 mt -75.98 -5.2 45.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.907 0.384 . . . . 0.0 111.02 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 23.1 t -84.7 -1.9 56.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.556 0.693 . . . . 0.0 109.842 176.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -84.58 90.43 7.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.341 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -77.52 94.83 4.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.956 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 1.4 p -93.23 70.6 4.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.685 0.755 . . . . 0.0 110.981 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -108.07 36.01 2.93 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.2 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -45.58 114.7 0.8 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.246 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -74.48 87.04 2.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.205 0.526 . . . . 0.0 111.606 -177.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 24.5 m -104.11 11.73 8.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.767 0.794 . . . . 0.0 109.79 174.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 48.0 m -145.06 166.47 25.27 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.565 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.252 1.194 0 CA-C-O 118.503 -0.761 . . . . 0.0 110.129 -178.116 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.593 ' HA2' HG21 ' A' ' 10' ' ' THR . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -138.82 159.54 41.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 105.31 -176.41 22.5 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -177.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -70.85 -69.89 0.34 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -93.52 125.26 38.03 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 170.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -107.0 118.24 54.53 Favored Pre-proline 0 C--N 1.316 -0.876 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.048 -169.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HA ' ' OD2' ' A' ' 109' ' ' ASP . 86.2 Cg_endo -87.58 170.13 6.66 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.864 2.376 . . . . 0.0 111.318 172.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.448 HG23 ' HB2' ' A' ' 109' ' ' ASP . 6.2 pt -72.17 -12.43 15.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.693 0.282 . . . . 0.0 111.413 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -73.41 87.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.697 0.761 . . . . 0.0 111.769 -177.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.593 HG21 ' HA2' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -147.32 -37.45 0.21 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.36 -1.291 . . . . 0.0 108.876 175.552 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.419 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 45.6 m-80 -101.57 127.7 30.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.119 170.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 11' ' ' ASN . 7.4 Cg_exo -65.62 -55.72 0.41 Allowed 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.627 2.218 . . . . 0.0 112.826 -172.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -72.25 -26.11 61.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.387 -174.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.89 77.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.102 0.477 . . . . 0.0 110.125 176.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.46 -34.85 68.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.874 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.482 ' HE2' HG12 ' A' ' 47' ' ' VAL . 50.7 ttm -59.55 -29.08 67.66 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.116 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.7 m -60.77 -36.32 78.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.956 0.408 . . . . 0.0 110.083 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.821 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -65.85 -41.44 91.69 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.06 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -60.29 -50.38 73.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.992 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.77 -42.12 97.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.983 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -69.14 -25.54 64.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.372 -177.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 22' ' ' LEU . 17.1 mt -63.97 -47.57 79.88 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.32 173.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.74 -41.02 88.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.113 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -62.18 -39.96 94.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.976 176.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.543 ' HA ' ' HD3' ' A' ' 28' ' ' ARG . 12.6 t -70.26 -35.53 73.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.956 0.407 . . . . 0.0 110.509 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.09 -38.7 75.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.013 0.435 . . . . 0.0 110.76 176.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.8 t -72.2 -21.44 61.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.442 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.543 ' HD3' ' HA ' ' A' ' 25' ' ' CYS . 1.6 ptm180 -94.29 -17.7 22.37 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 111.043 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.9 p -88.45 -43.95 11.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.954 0.407 . . . . 0.0 110.576 177.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.01 24.9 75.87 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.906 -0.588 . . . . 0.0 113.107 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.5 t -83.59 -27.69 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.373 0.606 . . . . 0.0 110.221 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.573 ' HB3' ' HB2' ' A' ' 36' ' ' GLN . 5.6 mp -86.59 154.28 21.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.012 -174.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 75.8 p -87.85 178.41 6.72 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.603 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.69 94.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.561 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -51.46 -52.97 41.94 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.465 176.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.573 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 42.5 mt-30 -67.64 -45.44 75.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.448 -176.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 86.3 mmm -64.7 -43.84 92.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.672 -177.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -63.43 -35.21 79.69 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.115 0.483 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.506 ' HB3' HG22 ' A' ' 77' ' ' VAL . 1.9 t70 -63.69 -45.08 91.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.385 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.421 ' O ' ' HB3' ' A' ' 43' ' ' MET . 91.3 mtp -66.94 -30.93 71.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.664 178.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.98 -50.02 67.14 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.999 177.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.1 ptt? -68.22 -25.46 65.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.649 0.261 . . . . 0.0 110.328 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.424 ' O ' HG23 ' A' ' 47' ' ' VAL . 48.4 ttp -58.82 -54.3 48.7 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.06 0.457 . . . . 0.0 110.189 176.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.5 83.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.552 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -65.4 -42.54 92.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.308 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 43.2 p -64.85 -30.21 71.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.675 0.274 . . . . 0.0 111.3 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.482 HG12 ' HE2' ' A' ' 16' ' ' MET . 59.2 t -73.52 -42.14 56.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.253 0.549 . . . . 0.0 110.128 175.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -69.01 -41.9 77.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.702 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.686 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 12.4 p -64.8 -24.58 67.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.375 -178.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -65.64 -38.83 90.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 51' ' ' MET . 0.6 OUTLIER -67.35 -39.46 85.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.568 -179.097 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.686 ' HG2' ' HA ' ' A' ' 49' ' ' SER . 17.8 pt20 -77.08 -28.34 54.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.043 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -73.84 -36.19 64.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.033 0.444 . . . . 0.0 110.451 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 56.6 mtm -94.04 -163.23 1.02 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.083 177.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.16 -170.87 13.05 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.483 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.15 147.31 72.72 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.589 2.193 . . . . 0.0 111.742 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.2 m120 60.54 74.7 0.52 Allowed Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.887 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -88.28 172.01 5.24 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.911 2.407 . . . . 0.0 113.044 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -63.93 140.07 71.1 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.933 2.422 . . . . 0.0 111.934 176.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -65.65 -40.11 92.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.884 -176.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.563 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 11.6 p80 -63.55 -25.76 68.39 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.257 -178.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.551 ' O ' ' HG2' ' A' ' 66' ' ' MET . 96.5 mtt180 -71.48 -35.02 70.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.052 0.453 . . . . 0.0 110.104 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.92 -45.15 44.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.593 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 61' ' ' HIS . 1.8 ppt_? -60.46 -29.34 68.97 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.217 178.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.633 ' HA ' ' OE1' ' B' ' 76' ' ' GLU . . . -71.46 -45.0 63.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.948 178.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 97.2 mmm -59.78 -26.5 65.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.92 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' A' ' 64' ' ' ARG . 17.1 t-20 -52.24 -52.75 50.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.901 173.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.2 m -75.87 -33.65 59.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.381 -177.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.94 -48.12 83.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.043 0.449 . . . . 0.0 110.399 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.9 ttt -63.0 -44.7 95.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.809 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.88 -44.39 93.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.445 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.95 -38.91 92.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.985 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.559 ' O ' HG23 ' A' ' 77' ' ' VAL . 24.4 mm-40 -62.3 -47.55 83.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.439 178.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.44 -42.51 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 0.0 110.587 177.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.5 93.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.743 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -56.9 -39.46 74.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.535 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 73' ' ' GLU . 54.8 t -64.37 -48.22 86.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.107 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.443 HG11 ' CD1' ' A' ' 90' ' ' LEU . 36.4 t -72.31 -40.94 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.176 -177.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.59 -30.81 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 0.0 111.558 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.8 m -90.38 78.98 6.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.512 0.672 . . . . 0.0 110.368 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.8 p -158.35 168.85 11.61 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.343 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.09 142.11 97.66 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.012 1.808 . . . . 0.0 110.528 173.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.63 -20.53 69.38 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.502 2.135 . . . . 0.0 112.117 -171.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -88.29 -20.55 25.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.649 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.5 t -102.19 -16.7 16.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.139 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -51.42 -46.14 62.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.387 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.3 t -64.07 -41.82 97.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.687 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.69 -48.31 77.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.027 0.441 . . . . 0.0 110.648 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.471 HG13 ' HG ' ' A' ' 32' ' ' LEU . 93.9 t -63.96 -44.07 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.77 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.695 HD11 HG11 ' A' ' 120' ' ' VAL . 26.5 tp -61.85 -47.22 86.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 -177.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.53 -38.35 84.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.048 0.451 . . . . 0.0 110.336 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.6 m -64.12 -54.12 38.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.811 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.507 ' HA ' HD13 ' A' ' 93' ' ' ILE . 0.7 OUTLIER -60.3 -46.66 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 179.09 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.54 -40.4 87.0 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.487 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.94 -39.72 75.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.684 0.278 . . . . 0.0 110.747 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.521 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 96.6 m -64.89 -39.35 93.4 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.492 -179.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.821 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 7.3 mp -54.31 -40.0 67.52 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.031 0.443 . . . . 0.0 111.084 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -67.1 -45.83 76.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.912 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.521 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 11.9 pt-20 -77.51 -36.06 52.92 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.499 -176.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.0 m -60.84 -35.3 76.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.428 176.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.481 ' SD ' ' HG3' ' A' ' 18' ' ' MET . 13.0 mmt -66.03 -44.2 85.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.881 177.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.459 ' O ' ' HA2' ' A' ' 106' ' ' GLY . 33.3 ttm -71.91 -21.7 61.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.924 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 99' ' ' GLU . 79.9 mt-30 -82.22 -40.84 21.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.962 0.41 . . . . 0.0 110.173 175.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.05 -53.17 10.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.802 -177.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.5 p -107.38 -33.1 7.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.085 0.469 . . . . 0.0 111.347 -175.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 102' ' ' MET . . . 104.19 -1.46 43.83 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.333 -176.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 12.6 p -132.09 148.48 52.49 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.342 -0.429 . . . . 0.0 109.902 -178.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.2 t -85.12 103.63 12.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.086 0.469 . . . . 0.0 110.903 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.448 ' HB2' HG23 ' A' ' 8' ' ' ILE . 10.2 t70 -72.0 131.42 42.89 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 173.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -105.36 -27.42 11.49 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.468 -175.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.23 90.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -73.97 -49.18 25.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.316 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.701 ' HA ' HD23 ' A' ' 97' ' ' LEU . 7.8 m -56.97 -40.95 77.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.552 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.495 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 11.3 t30 -69.41 -43.16 74.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.557 0.218 . . . . 0.0 110.473 178.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.21 -48.15 76.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -177.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.466 HG21 HD21 ' A' ' 97' ' ' LEU . 61.1 t -61.57 -40.16 85.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.377 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.422 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 31.2 mmt -66.4 -29.59 69.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -176.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 11.2 mm100 -85.47 -38.06 19.03 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.36 -179.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.03 -47.96 76.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.295 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.695 HG11 HD11 ' A' ' 90' ' ' LEU . 13.2 p -66.33 -34.19 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.652 -174.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 117' ' ' MET . 95.7 mttt -65.23 -46.22 81.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.324 0.583 . . . . 0.0 110.211 178.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 34.1 ttp -66.04 -39.16 89.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.429 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.403 HD11 HG21 ' B' ' 68' ' ' THR . 72.3 mt -71.15 -9.94 58.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.645 0.259 . . . . 0.0 111.633 -177.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.0 t -106.37 6.69 30.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.689 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -158.75 -160.9 0.91 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.193 0.52 . . . . 0.0 111.172 -175.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -156.41 139.41 15.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.349 175.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 43.3 m -149.41 148.36 29.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.812 0.339 . . . . 0.0 110.098 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -101.4 41.77 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.997 0.427 . . . . 0.0 110.5 -177.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -53.29 115.24 1.8 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.247 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -127.21 74.84 1.54 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.771 0.796 . . . . 0.0 109.296 171.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 28.4 m -85.76 -19.98 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.421 -176.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.1 p -111.27 158.23 19.23 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.235 178.729 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.199 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m 60.38 72.94 0.5 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.388 0.613 . . . . 0.0 111.478 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.71 -171.29 43.68 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.79 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -74.71 -54.94 6.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.998 0.428 . . . . 0.0 109.847 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 24.6 m -90.27 156.0 18.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.7 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -116.45 90.7 31.13 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 120.961 0.41 . . . . 0.0 110.781 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -90.02 161.08 4.9 Favored 'Trans proline' 0 N--CA 1.453 -0.912 0 C-N-CA 122.933 2.422 . . . . 0.0 112.115 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.966 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.6 pp -74.76 -20.9 16.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.22 0.533 . . . . 0.0 110.937 178.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.405 ' CD1' ' HB3' ' B' ' 63' ' ' LEU . 1.9 t-105 -80.22 74.37 7.05 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.464 0.65 . . . . 0.0 110.607 -171.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 17.8 m -122.33 -25.0 4.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.078 175.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -111.53 137.96 21.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.152 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -67.12 -43.22 6.69 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.628 2.219 . . . . 0.0 112.408 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -62.38 -44.45 96.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.151 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.28 99.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.134 0.492 . . . . 0.0 110.593 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.92 -43.6 95.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.715 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 41.1 ttm -62.08 -39.14 91.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.294 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 36.4 m -59.19 -45.71 90.33 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.693 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 1.017 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -59.1 -43.91 91.91 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.5 m -61.43 -50.77 71.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.986 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.35 -42.63 98.93 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -65.51 -29.6 70.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.269 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' B' ' 22' ' ' LEU . 24.7 mt -64.31 -46.39 83.77 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 173.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.78 -43.83 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.149 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 48.5 mt-30 -61.68 -44.35 97.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 177.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 0.547 ' HA ' ' HD3' ' B' ' 28' ' ' ARG . 8.5 t -67.1 -32.02 72.89 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.964 0.411 . . . . 0.0 110.62 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.473 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -70.86 -40.5 72.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.242 0.544 . . . . 0.0 110.938 175.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 24.2 t -66.15 -39.6 89.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.793 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.547 ' HD3' ' HA ' ' B' ' 25' ' ' CYS . 3.0 ptm180 -75.65 -31.92 60.0 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.388 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.3 p -72.09 -49.59 35.1 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.534 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.87 24.08 62.8 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.552 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.442 HG13 HD12 ' B' ' 32' ' ' LEU . 12.6 p -95.94 -6.22 9.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.444 0.64 . . . . 0.0 110.445 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 6.1 mp -101.4 150.49 22.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.577 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 72.5 p -90.31 -179.33 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.891 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.0 -44.81 87.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.2 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.596 ' O ' ' HB2' ' B' ' 39' ' ' ASP . 16.2 m-20 -62.62 -41.39 98.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.576 179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.507 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 52.3 mt-30 -70.07 -44.14 69.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.038 -179.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 83.9 mmm -67.62 -50.4 58.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.797 -177.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.06 -34.33 76.06 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.036 0.446 . . . . 0.0 110.307 -178.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.596 ' HB2' ' O ' ' B' ' 35' ' ' ASP . 0.4 OUTLIER -59.42 -53.66 55.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.499 177.422 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.587 ' HG2' HG21 ' B' ' 77' ' ' VAL . 1.1 mtm -66.63 -30.94 71.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.614 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.33 -46.41 90.74 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.33 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.42 ' HG2' ' O ' ' B' ' 39' ' ' ASP . 24.9 ptt? -71.01 -24.23 62.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.049 0.452 . . . . 0.0 110.034 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . 0.675 ' SD ' ' HG2' ' B' ' 70' ' ' MET . 53.9 ttp -59.43 -52.31 66.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.265 174.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.24 85.81 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.634 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -55.76 -43.01 76.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.464 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 64.6 m -63.74 -38.33 90.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.857 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 43' ' ' MET . 18.8 t -65.17 -40.36 88.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.156 0.503 . . . . 0.0 109.994 177.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -67.88 -47.08 69.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.541 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 4.4 p -64.08 -33.48 75.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.316 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -58.79 -45.11 90.61 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.676 0.274 . . . . 0.0 110.838 175.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 74.7 mtp -59.13 -32.91 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.757 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -79.15 -24.93 42.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.26 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' B' ' 49' ' ' SER . 2.7 mmmp? -81.99 -20.08 39.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.11 0.481 . . . . 0.0 110.659 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 76.5 mtm -104.23 -66.95 0.92 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.098 -178.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.96 -174.45 19.88 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 -176.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.71 151.57 36.55 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.515 2.143 . . . . 0.0 112.075 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 15.9 m120 59.39 70.26 1.14 Allowed Pre-proline 0 N--CA 1.465 0.291 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.725 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -83.84 168.27 12.46 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.583 2.188 . . . . 0.0 113.206 -175.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -67.0 140.44 54.52 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 123.048 2.499 . . . . 0.0 111.935 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -66.22 -33.58 76.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.754 -177.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.58 ' HA ' ' HG3' ' B' ' 64' ' ' ARG . 4.6 p80 -67.45 -32.7 73.73 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.867 -177.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -68.45 -23.62 64.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.248 0.547 . . . . 0.0 109.65 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.405 ' HB3' ' CD1' ' B' ' 9' ' ' TRP . 96.9 mt -80.72 -43.63 19.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.766 177.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.58 ' HG3' ' HA ' ' B' ' 61' ' ' HIS . 2.2 ppt_? -65.88 -22.88 66.55 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.756 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.67 -51.57 10.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.636 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.476 ' HA ' ' HB3' ' B' ' 69' ' ' ALA . 92.6 mmm -62.23 -22.48 65.99 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.401 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -55.47 -44.03 76.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.154 0.502 . . . . 0.0 109.785 173.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.403 HG21 HD11 ' A' ' 123' ' ' LEU . 71.0 m -81.47 -34.35 31.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.96 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' B' ' 66' ' ' MET . . . -59.56 -54.83 41.97 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . 0.675 ' HG2' ' SD ' ' B' ' 43' ' ' MET . 10.8 tmm? -59.66 -42.12 92.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.623 0.725 . . . . 0.0 110.326 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . 0.594 ' HB2' ' CE1' ' B' ' 112' ' ' PHE . . . -65.79 -39.89 91.39 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.464 -177.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.71 96.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.742 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.459 ' O ' HG23 ' B' ' 77' ' ' VAL . 3.0 mm-40 -56.06 -56.64 18.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.637 175.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.478 HG22 ' SD ' ' B' ' 40' ' ' MET . 65.4 t -53.43 -49.01 56.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.532 178.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.82 99.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.529 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.633 ' OE1' ' HA ' ' A' ' 65' ' ' ALA . 40.6 tt0 -66.07 -39.26 89.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.743 0.306 . . . . 0.0 110.25 178.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.587 HG21 ' HG2' ' B' ' 40' ' ' MET . 41.6 t -57.32 -39.99 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.588 175.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 74' ' ' VAL . 77.0 t -71.38 -52.11 28.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.034 177.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.418 ' HB2' HG23 ' B' ' 120' ' ' VAL . . . -60.42 -35.71 76.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.22 -176.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 15.3 m -87.33 77.55 8.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.46 0.648 . . . . 0.0 110.731 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 66.4 p -156.72 165.32 19.01 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.039 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.0 142.48 99.44 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.076 1.851 . . . . 0.0 110.511 174.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -62.4 -20.99 72.08 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.332 2.021 . . . . 0.0 111.893 -173.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -80.02 -19.38 47.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.113 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.421 ' O ' HG23 ' B' ' 89' ' ' VAL . 11.0 t -111.25 -19.12 12.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.322 -177.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -51.32 -47.31 62.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.862 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 11.1 t -64.01 -39.3 93.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.853 0.359 . . . . 0.0 110.709 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.94 -46.07 72.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 85' ' ' SER . 59.5 t -62.89 -42.89 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.292 178.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.32 -52.21 66.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.388 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -60.22 -34.63 73.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.346 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 97.5 m -68.97 -55.57 10.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.725 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.2 mm -59.08 -46.14 92.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.085 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.25 -41.8 71.59 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.624 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.02 -37.81 57.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.564 0.221 . . . . 0.0 111.347 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' CYS . . . . . 0.456 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 89.7 m -63.63 -33.59 75.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.002 179.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 1.017 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 3.1 mp -58.4 -43.21 88.49 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.472 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -63.48 -48.43 77.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.56 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' B' ' 103' ' ' GLN . 13.2 pt-20 -70.48 -38.81 74.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.096 -176.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 74.0 m -59.5 -38.54 81.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.741 0.305 . . . . 0.0 110.7 177.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.665 ' HE1' ' HG3' ' B' ' 18' ' ' MET . 13.7 mmt -62.79 -42.76 99.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.922 178.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . 0.409 ' O ' ' HA2' ' B' ' 106' ' ' GLY . 36.0 ttm -75.57 -21.12 58.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' B' ' 99' ' ' GLU . 17.2 mm-40 -83.0 -28.43 29.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.06 0.457 . . . . 0.0 110.279 175.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.14 -67.51 0.81 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.419 -177.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.966 HG21 ' HB ' ' B' ' 8' ' ' ILE . 82.3 p -92.08 -31.71 15.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.183 0.516 . . . . 0.0 110.614 -177.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' B' ' 102' ' ' MET . . . 103.17 -1.95 47.3 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -176.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' B' ' 101' ' ' MET . 22.9 p -131.95 149.97 52.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.443 -0.379 . . . . 0.0 110.194 -178.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 57.4 t -88.91 110.51 21.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.861 -179.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -86.79 109.22 19.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -82.29 -25.42 34.02 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.009 -0.277 . . . . 0.0 110.714 -177.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.18 -48.45 81.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.962 0.41 . . . . 0.0 110.925 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.594 ' CE1' ' HB2' ' B' ' 71' ' ' ALA . 78.9 t80 -67.6 -51.89 45.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.362 179.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.607 ' HA ' HD23 ' B' ' 97' ' ' LEU . 16.0 m -54.56 -34.76 62.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.669 177.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . 0.419 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 9.5 t30 -71.19 -40.67 71.08 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 177.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -54.84 -49.27 71.49 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.285 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.537 HG21 HD21 ' B' ' 97' ' ' LEU . 98.9 t -59.85 -36.59 67.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.439 -178.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . 0.551 ' O ' ' HG3' ' B' ' 121' ' ' LYS . 31.1 mmt -70.24 -35.16 73.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.029 0.442 . . . . 0.0 110.197 -177.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' B' ' 114' ' ' ASN . 14.1 mm100 -75.24 -42.43 55.3 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.414 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 13.3 mt -55.75 -47.6 76.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.121 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . 0.418 HG23 ' HB2' ' B' ' 79' ' ' ALA . 11.9 p -70.22 -35.14 61.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.323 -175.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' B' ' 117' ' ' MET . 96.8 mttt -67.09 -45.58 76.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.035 0.445 . . . . 0.0 110.192 177.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 31.7 ttp -64.36 -40.11 95.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.018 -178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 80.0 mt -72.72 -11.69 60.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 111.279 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 18.3 t -98.93 7.92 45.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.125 0.488 . . . . 0.0 109.987 176.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -155.09 -151.5 0.35 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.93 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -145.15 92.01 2.21 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 173.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 16.5 m -84.48 106.48 16.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.108 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . 0.415 ' HB2' HE22 ' A' ' 118' ' ' GLN . . . -120.96 20.77 11.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.233 -178.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -68.88 143.38 54.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.034 0.445 . . . . 0.0 111.037 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -101.7 92.1 4.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.655 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 13.0 m -116.6 11.7 7.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.613 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 16.4 p -84.88 96.12 9.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.091 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 31.9 m . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.751 -0.642 . . . . 0.0 109.904 176.306 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -82.94 -43.36 16.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.87 -54.01 2.55 Favored Glycine 0 C--N 1.333 0.403 0 CA-C-N 115.768 -0.651 . . . . 0.0 113.471 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -74.03 130.41 39.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.042 0.448 . . . . 0.0 111.15 -175.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -92.93 145.43 24.39 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -103.2 109.42 61.61 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 -175.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -87.11 -178.39 2.48 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.956 2.437 . . . . 0.0 111.929 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.669 ' HB ' HG21 ' A' ' 105' ' ' THR . 0.9 OUTLIER -86.57 -4.73 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.98 0.419 . . . . 0.0 110.885 -179.665 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -87.14 75.3 9.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.252 0.549 . . . . 0.0 111.431 -176.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 p -120.87 -42.08 2.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.799 172.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -109.94 126.14 29.66 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.452 -0.794 . . . . 0.0 109.459 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -66.28 -33.27 39.59 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.675 2.25 . . . . 0.0 112.569 -175.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -71.92 -32.93 67.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.889 0.376 . . . . 0.0 110.32 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.48 86.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.095 0.474 . . . . 0.0 109.979 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.62 -38.82 90.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.311 175.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.0 ttm -60.78 -29.66 69.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.856 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.5 m -62.36 -40.45 96.46 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.499 ' HE3' ' HG ' ' A' ' 97' ' ' LEU . 12.0 tpt -62.56 -42.19 99.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.305 174.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -63.39 -52.08 63.12 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.206 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -63.72 -44.89 92.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.302 -177.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.57 -33.82 75.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 0.0 110.555 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.666 HD11 HD12 ' A' ' 97' ' ' LEU . 12.3 tp -64.21 -45.39 88.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.278 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.7 t -66.28 -41.53 89.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.811 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -64.26 -35.22 80.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.658 0.266 . . . . 0.0 110.503 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.05 -35.06 79.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.341 0.591 . . . . 0.0 109.938 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' A' ' 32' ' ' LEU . . . -74.2 -35.73 63.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.292 0.568 . . . . 0.0 110.96 177.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.1 t -71.44 -26.47 62.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.266 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -90.01 -22.66 21.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.616 0.246 . . . . 0.0 111.107 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 p -82.21 -39.83 22.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.717 0.294 . . . . 0.0 110.922 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.25 8.92 80.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.63 177.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.586 HG13 HD12 ' A' ' 32' ' ' LEU . 14.2 p -79.12 -21.32 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.967 0.413 . . . . 0.0 110.389 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.586 HD12 HG13 ' A' ' 31' ' ' VAL . 5.4 mp -94.94 151.9 18.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.997 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.513 ' O ' ' HG2' ' A' ' 37' ' ' MET . 44.6 p -85.16 170.1 13.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.285 178.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.84 -30.56 71.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.95 0.405 . . . . 0.0 110.628 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.12 -54.0 51.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.552 174.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.461 ' HB3' ' CG1' ' A' ' 77' ' ' VAL . 47.8 mt-30 -65.44 -31.63 72.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.325 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 33' ' ' THR . 88.1 mmm -68.8 -27.14 65.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.057 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.515 ' HB3' ' CE1' ' B' ' 61' ' ' HIS . 35.3 t70 -82.03 -28.42 32.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 177.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.525 ' OD2' ' HB2' ' B' ' 65' ' ' ALA . 0.9 OUTLIER -56.33 -60.86 2.91 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.501 0.667 . . . . 0.0 109.574 170.293 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.598 ' HG3' HG21 ' A' ' 77' ' ' VAL . 86.3 mtp -67.11 -26.42 66.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.704 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.13 -49.94 63.55 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.9 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.477 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 12.5 ptt? -71.81 -19.74 61.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.02 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.469 ' O ' HG23 ' A' ' 47' ' ' VAL . 57.4 ttp -60.52 -53.23 60.05 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 174.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.79 93.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.23 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.477 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 27.4 t70 -59.12 -42.63 91.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.042 177.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m -65.77 -33.85 76.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.82 0.343 . . . . 0.0 111.132 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 43' ' ' MET . 47.8 t -70.01 -46.06 74.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.038 0.447 . . . . 0.0 110.009 176.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -64.76 -46.56 81.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.875 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.734 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 15.7 p -64.35 -33.53 76.05 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.3 -178.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.62 ' O ' ' HG2' ' A' ' 54' ' ' MET . 41.5 mt-30 -67.46 -33.69 75.64 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.241 -0.583 . . . . 0.0 111.294 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.516 ' HA ' ' HG2' ' A' ' 54' ' ' MET . 55.8 mtp -67.74 -21.42 65.28 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -97.03 -13.61 22.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.833 0.349 . . . . 0.0 110.789 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.734 ' HG2' ' O ' ' A' ' 49' ' ' SER . 75.0 mmtt -80.65 -35.02 34.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.261 0.553 . . . . 0.0 109.555 171.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.62 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 24.7 ptp -90.16 172.86 8.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.219 179.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -111.51 -172.47 19.36 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.874 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.68 129.18 26.84 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.668 2.245 . . . . 0.0 111.595 178.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 59.23 84.5 0.2 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.853 -172.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.562 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 74.2 Cg_endo -74.09 167.88 26.13 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.083 2.522 . . . . 0.0 112.795 -174.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -58.97 125.31 17.83 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.349 2.033 . . . . 0.0 111.412 174.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -58.87 -36.27 74.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.342 -175.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.781 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 5.5 p80 -68.1 -20.2 64.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.171 0.51 . . . . 0.0 110.854 -178.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.57 ' O ' ' HG3' ' A' ' 66' ' ' MET . 33.8 ttt180 -73.36 -36.95 66.2 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.54 -41.17 93.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.697 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.781 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 38.8 ptt180 -61.3 -40.17 93.19 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.447 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.523 ' HA ' ' HG3' ' B' ' 76' ' ' GLU . . . -68.67 -41.47 79.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.93 0.395 . . . . 0.0 111.133 178.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.57 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 82.1 mtp -67.39 -20.9 65.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.572 -176.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -56.96 -51.99 66.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.852 0.358 . . . . 0.0 110.344 174.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.49 HG22 ' HB1' ' B' ' 72' ' ' ALA . 7.1 m -72.78 -26.8 61.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.875 -178.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.04 -61.07 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.381 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.418 ' HB3' ' HE2' ' A' ' 70' ' ' MET . 57.7 ttp -60.57 -35.92 77.24 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.883 0.373 . . . . 0.0 110.582 -179.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' HB2' ' CE1' ' A' ' 112' ' ' PHE . . . -65.11 -52.77 53.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.512 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.86 83.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.424 -176.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.601 ' O ' HG23 ' A' ' 77' ' ' VAL . 9.9 mm-40 -59.94 -48.03 83.36 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.782 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.29 -44.66 98.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.323 . . . . 0.0 111.05 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.5 -39.37 90.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.645 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -59.51 -44.48 93.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.739 176.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 73' ' ' GLU . 69.1 t -61.57 -44.49 98.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.328 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.29 -47.2 47.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.401 -177.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.38 -38.51 91.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 111.395 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.405 HG21 ' HD2' ' B' ' 64' ' ' ARG . 4.7 m -86.36 68.02 10.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.443 0.64 . . . . 0.0 110.202 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.1 m -137.46 160.74 64.17 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.21 178.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.87 136.27 72.45 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.733 1.622 . . . . 0.0 110.384 173.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -62.84 -15.27 46.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.612 2.208 . . . . 0.0 112.463 -172.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -80.08 -13.69 59.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.232 -178.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.5 t -132.69 7.56 4.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.766 0.317 . . . . 0.0 111.221 -177.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -57.63 -49.78 75.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.549 -178.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.3 t -65.29 -35.5 81.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.78 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.0 -49.69 71.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.081 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.74 -43.64 98.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.04 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.8 -51.55 69.12 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.399 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -55.61 -43.52 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.33 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.2 m -61.56 -56.63 17.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.225 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.4 mm -59.56 -45.27 94.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.318 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.81 -36.72 73.86 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.492 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.87 -39.24 51.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.656 0.265 . . . . 0.0 110.821 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.528 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 72.2 m -62.29 -40.77 97.37 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.682 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.666 HD12 HD11 ' A' ' 22' ' ' LEU . 6.3 mp -54.19 -40.34 67.47 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.906 0.384 . . . . 0.0 111.211 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.47 ' HG3' HG11 ' A' ' 108' ' ' VAL . 76.7 ttt180 -64.58 -48.98 72.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.733 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.528 ' HG2' ' HA ' ' A' ' 96' ' ' CYS . 14.8 pt-20 -76.32 -32.59 58.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.383 -174.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.4 m -63.81 -41.08 97.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.923 -0.126 . . . . 0.0 110.665 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.46 ' HB3' ' O ' ' A' ' 107' ' ' SER . 11.4 mmt -63.51 -41.62 98.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.933 0.397 . . . . 0.0 110.95 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 28.6 ttm -70.27 -19.97 63.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -96.87 -6.08 36.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.184 0.516 . . . . 0.0 110.549 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -99.89 -58.9 1.82 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.789 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.669 HG21 ' HB ' ' A' ' 8' ' ' ILE . 79.8 p -111.83 -16.52 13.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.118 0.485 . . . . 0.0 111.261 -177.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.19 1.56 69.47 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.694 -177.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' A' ' 101' ' ' MET . 14.9 m -131.74 153.17 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.47 HG11 ' HG3' ' A' ' 98' ' ' ARG . 77.9 t -104.27 103.3 15.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.934 0.397 . . . . 0.0 110.726 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.7 119.73 20.13 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.364 175.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -81.08 -23.45 38.47 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.562 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.01 77.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.686 0.279 . . . . 0.0 110.88 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 71' ' ' ALA . 71.1 t80 -71.47 -50.95 26.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.518 -179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.656 ' HA ' HD23 ' A' ' 97' ' ' LEU . 8.6 m -54.71 -40.87 69.65 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.632 178.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.547 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 63.7 t30 -70.21 -42.0 72.92 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -53.15 -50.92 63.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.735 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.564 ' HA ' HD12 ' A' ' 119' ' ' LEU . 59.5 t -64.37 -32.73 58.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.425 -178.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.495 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 27.3 mmt -72.48 -35.94 68.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.124 0.488 . . . . 0.0 109.982 -178.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 75.4 mm-40 -74.85 -37.59 62.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.863 178.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 116' ' ' VAL . 12.6 mt -55.6 -53.39 57.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.85 176.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.16 -31.27 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.414 -174.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 117' ' ' MET . 96.0 mttt -71.0 -45.26 64.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.053 176.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.508 ' HE1' HD23 ' B' ' 119' ' ' LEU . 43.5 ttp -60.62 -43.53 97.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.98 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 86.0 mt -66.89 -29.96 69.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 110.726 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.0 t -83.15 -10.2 58.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.63 0.729 . . . . 0.0 110.076 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -97.89 19.02 14.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.252 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -96.0 111.64 23.59 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 175.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.8 p -55.57 100.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.792 0.683 . . . . 0.0 112.536 -173.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -131.57 22.69 4.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.387 0.613 . . . . 0.0 109.982 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -99.31 -179.58 4.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.279 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -104.88 115.48 30.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.422 0.63 . . . . 0.0 110.441 178.746 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 31.5 m -80.26 -25.18 11.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.653 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.6 t -173.44 126.26 0.41 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.191 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 8.4 p . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.175 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 111.936 -0.466 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -144.02 10.86 1.55 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.505 0.669 . . . . 0.0 109.959 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.32 -85.23 1.41 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.427 -177.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -130.06 143.53 50.84 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.426 ' O ' ' HD3' ' B' ' 7' ' ' PRO . 70.5 m -62.34 135.19 57.34 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 175.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -99.29 106.15 37.15 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.32 -177.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' B' ' 5' ' ' SER . 92.3 Cg_endo -86.78 179.88 3.19 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 122.837 2.358 . . . . 0.0 112.177 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.973 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.6 pp -81.02 -19.43 11.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.603 0.716 . . . . 0.0 110.421 178.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.45 ' HZ3' ' HE1' ' B' ' 70' ' ' MET . 20.7 t-105 -90.11 29.82 1.17 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.673 -168.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.1 p -92.21 -8.52 45.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.225 0.536 . . . . 0.0 110.219 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.554 ' HB2' ' HB3' ' B' ' 14' ' ' ALA . 83.0 m-20 -118.35 127.84 26.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.347 178.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.29 -44.32 2.47 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.669 2.246 . . . . 0.0 113.249 -173.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -76.42 -34.56 58.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.677 0.275 . . . . 0.0 110.546 -178.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.554 ' HB3' ' HB2' ' B' ' 11' ' ' ASN . . . -64.27 -38.37 90.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.114 0.483 . . . . 0.0 109.881 174.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.56 -44.19 94.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.224 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' MET . . . . . 0.444 ' HE3' ' SD ' ' B' ' 51' ' ' MET . 39.2 ttm -59.01 -27.29 65.3 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.914 177.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 14.9 m -63.1 -40.05 96.49 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.343 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.485 ' CE ' ' HG ' ' B' ' 97' ' ' LEU . 12.1 ttt -63.16 -43.51 98.08 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 175.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.22 -46.2 86.33 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.669 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -67.89 -42.94 80.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.95 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -64.48 -33.11 75.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.818 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' B' ' 18' ' ' MET . 54.7 mt -61.81 -46.82 87.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.332 . . . . 0.0 110.577 175.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.32 -41.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.419 178.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -63.46 -40.18 96.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.978 176.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 0.61 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 49.0 t -68.56 -39.41 81.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.938 0.399 . . . . 0.0 110.561 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.476 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -64.68 -37.34 87.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.091 0.472 . . . . 0.0 110.491 175.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 47.2 t -72.1 -30.52 65.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.831 177.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' B' ' 25' ' ' CYS . 9.0 ptm180 -82.84 -15.32 52.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.734 0.302 . . . . 0.0 110.696 -178.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.6 p -94.86 -49.11 5.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.725 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.88 20.41 70.71 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.392 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.542 HG13 HD12 ' B' ' 32' ' ' LEU . 14.9 p -88.16 -12.88 10.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.176 0.512 . . . . 0.0 110.399 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.542 HD12 HG13 ' B' ' 31' ' ' VAL . 5.7 mp -102.9 153.61 20.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.284 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . 0.423 ' O ' ' HG2' ' B' ' 37' ' ' MET . 78.6 p -87.91 167.65 13.57 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.138 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.72 -33.83 73.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.998 0.428 . . . . 0.0 110.725 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -54.73 -50.84 67.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.962 174.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.472 HE22 ' HB3' ' B' ' 81' ' ' SER . 93.8 mt-30 -71.95 -35.76 69.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.323 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' B' ' 33' ' ' THR . 95.5 mmm -66.3 -33.09 74.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.12 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -74.92 -32.5 61.8 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.445 ' HB3' HG22 ' B' ' 77' ' ' VAL . 0.8 OUTLIER -55.55 -52.6 63.17 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.205 0.526 . . . . 0.0 110.232 170.557 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.473 ' O ' ' HB3' ' B' ' 43' ' ' MET . 87.7 mtp -68.58 -33.64 74.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.956 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.11 -46.26 91.63 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.169 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.431 ' SD ' ' HG3' ' A' ' 62' ' ' ARG . 18.6 ptt? -73.76 -19.98 60.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.096 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . 0.473 ' HB3' ' O ' ' B' ' 40' ' ' MET . 47.0 ttp -62.24 -48.16 81.18 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 173.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.71 -35.96 82.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.315 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.34 -38.68 92.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.383 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 33.0 t -63.42 -42.7 98.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.397 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 43' ' ' MET . 41.1 t -62.21 -39.51 84.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.356 0.598 . . . . 0.0 109.656 176.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -64.76 -46.74 80.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.992 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.628 ' O ' ' HG2' ' B' ' 53' ' ' LYS . 11.4 p -69.41 -26.4 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.524 -177.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.572 ' O ' ' HG2' ' B' ' 54' ' ' MET . 16.0 mm100 -74.17 -24.54 59.4 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.089 -0.382 . . . . 0.0 110.901 175.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . 0.444 ' SD ' ' HE3' ' B' ' 16' ' ' MET . 52.5 mtp -76.41 -20.58 56.96 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.138 176.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.531 ' HG2' ' HA ' ' B' ' 49' ' ' SER . 10.0 pt20 -93.92 -13.23 27.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.915 0.388 . . . . 0.0 110.458 174.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' B' ' 49' ' ' SER . 34.8 mmtp -71.25 -35.76 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 169.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . 0.572 ' HG2' ' O ' ' B' ' 50' ' ' GLN . 22.2 ptp -96.96 -175.49 3.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.585 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.83 -144.61 4.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.566 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -70.99 -20.49 28.99 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.186 2.591 . . . . 0.0 112.23 -178.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -130.4 79.37 72.55 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.12 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.549 ' HB3' ' HB2' ' B' ' 54' ' ' MET . 91.8 Cg_endo -81.03 160.53 20.8 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 122.428 2.085 . . . . 0.0 113.142 -178.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.407 ' HB2' ' CD2' ' B' ' 61' ' ' HIS . 74.3 Cg_endo -80.62 111.6 2.58 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.09 2.527 . . . . 0.0 111.302 174.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.94 -23.81 65.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.668 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.65 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 5.7 p80 -69.1 -25.57 64.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.103 0.478 . . . . 0.0 110.539 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' B' ' 66' ' ' MET . 95.0 mtt180 -73.51 -21.98 60.25 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.446 175.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 79.4 mt -76.84 -37.37 55.76 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.444 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 50.3 ptt85 -63.87 -35.9 82.17 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.397 -0.521 . . . . 0.0 109.671 176.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.525 ' HB2' ' OD2' ' A' ' 39' ' ' ASP . . . -68.38 -41.16 80.99 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.905 0.384 . . . . 0.0 111.034 175.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' B' ' 62' ' ' ARG . 61.1 mtp -67.51 -24.87 65.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.78 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -57.57 -56.2 25.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.898 0.38 . . . . 0.0 110.161 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 12.6 m -69.14 -24.33 64.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.908 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.2 -58.56 7.82 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.986 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . 0.45 ' HE1' ' HZ3' ' B' ' 9' ' ' TRP . 47.4 ttp -61.77 -39.82 93.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.204 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . 0.538 ' HB1' HG22 ' B' ' 116' ' ' VAL . . . -59.52 -48.08 83.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.408 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.49 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -69.89 -36.97 75.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.372 -178.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.553 ' O ' HG23 ' B' ' 77' ' ' VAL . 28.5 mm-40 -59.29 -46.05 89.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.773 0.321 . . . . 0.0 110.415 177.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.14 -44.63 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 177.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.46 91.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.813 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.523 ' HG3' ' HA ' ' A' ' 65' ' ' ALA . 5.6 tm-20 -58.64 -49.26 78.18 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.99 176.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.553 HG23 ' O ' ' B' ' 73' ' ' GLU . 94.7 t -58.03 -44.36 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.267 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.3 t -70.37 -42.89 78.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.107 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.34 -39.94 85.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.426 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . 0.659 HG21 ' HD2' ' A' ' 64' ' ' ARG . 22.9 m -80.41 79.88 6.94 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.544 0.687 . . . . 0.0 110.218 177.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.472 ' HB3' HE22 ' B' ' 36' ' ' GLN . 55.4 p -151.74 172.55 5.32 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.94 179.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.77 127.98 20.97 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.182 1.255 . . . . 0.0 109.673 169.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.92 -14.46 37.06 Favored 'Trans proline' 0 CA--C 1.526 0.117 0 C-N-CA 122.799 2.332 . . . . 0.0 112.578 -170.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -85.39 -17.29 37.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.944 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 32.2 t -117.48 3.64 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.385 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -56.07 -42.67 77.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.515 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 35.4 t -61.99 -42.23 98.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.191 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.49 -50.0 71.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.01 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.2 -42.13 94.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.384 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.29 -53.11 62.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.634 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -57.66 -37.18 72.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.514 -178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.422 ' OG1' HG11 ' B' ' 31' ' ' VAL . 87.0 m -62.89 -59.04 5.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.456 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.0 OUTLIER -56.85 -40.64 72.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.187 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -53.0 -46.73 60.94 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 121.209 -0.519 . . . . 0.0 112.373 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.33 -36.07 61.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.712 0.291 . . . . 0.0 110.873 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' CYS . . . . . 0.563 ' HA ' ' HG2' ' B' ' 99' ' ' GLU . 89.2 m -59.62 -37.83 79.68 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' B' ' 113' ' ' THR . 4.7 mp -58.34 -42.16 86.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.891 0.377 . . . . 0.0 110.834 178.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -65.86 -49.6 67.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.462 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.563 ' HG2' ' HA ' ' B' ' 96' ' ' CYS . 10.1 pt-20 -69.04 -32.64 72.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.224 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 67.2 m -62.52 -39.85 94.85 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.389 0.137 . . . . 0.0 110.675 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.439 ' HB3' ' O ' ' B' ' 107' ' ' SER . 15.2 mmt -61.71 -47.34 85.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.887 178.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 14.2 ttm -66.76 -33.67 76.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -85.17 -3.57 58.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.918 0.389 . . . . 0.0 111.442 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -106.59 -63.97 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.186 0.517 . . . . 0.0 111.146 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.973 HG21 ' HB ' ' B' ' 8' ' ' ILE . 75.9 p -100.14 -25.35 14.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.242 -174.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 99.96 -0.93 56.36 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . 0.439 ' O ' ' HB3' ' B' ' 101' ' ' MET . 39.6 m -132.73 154.15 50.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 55.6 t -111.0 119.71 60.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.99 0.424 . . . . 0.0 111.328 -178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -100.96 123.52 45.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.915 173.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -91.21 -16.52 27.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.671 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.83 77.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.781 0.324 . . . . 0.0 110.888 -177.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.418 ' O ' HG23 ' B' ' 116' ' ' VAL . 82.4 t80 -64.55 -54.88 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.043 177.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.534 ' HA ' HD23 ' B' ' 97' ' ' LEU . 13.9 m -48.78 -45.49 40.16 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.999 176.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' B' ' 118' ' ' GLN . 41.6 t30 -60.7 -47.45 86.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.988 0.423 . . . . 0.0 110.916 177.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -63.41 -36.76 84.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.771 -176.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.625 ' HA ' HD12 ' B' ' 119' ' ' LEU . 64.1 t -65.8 -34.39 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 176.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . 0.51 ' O ' ' HG3' ' B' ' 121' ' ' LYS . 26.0 mmt -68.25 -30.12 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' B' ' 114' ' ' ASN . 28.9 mm-40 -74.51 -42.64 58.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.789 177.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' B' ' 116' ' ' VAL . 7.2 mt -56.06 -48.22 76.46 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.357 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.67 -30.37 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.367 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' B' ' 117' ' ' MET . 88.6 mttt -60.81 -53.62 55.11 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.244 0.545 . . . . 0.0 110.242 174.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.535 ' HE1' ' HG ' ' A' ' 119' ' ' LEU . 36.3 ttp -58.55 -39.96 81.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.594 -176.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 79.7 mt -71.9 -5.91 38.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 111.246 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 32.4 t -120.71 14.74 11.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.116 0.484 . . . . 0.0 109.943 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -106.86 22.34 16.09 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.16 0.505 . . . . 0.0 111.411 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -86.06 128.39 34.86 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 12.1 p -55.54 96.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.191 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -109.05 27.57 9.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.752 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -59.89 110.57 1.21 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.863 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -83.0 87.38 6.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.521 0.677 . . . . 0.0 110.166 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 27.7 m -83.29 -31.69 8.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.148 -177.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 19.9 m -137.59 114.86 10.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.192 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 36.3 p . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.326 179.24 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 112.013 -0.435 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 p -148.43 99.67 3.05 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.158 0.504 . . . . 0.0 111.572 -178.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -100.84 166.0 19.08 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 174.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -132.45 125.85 31.67 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.925 0.393 . . . . 0.0 110.878 -178.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -158.79 169.62 23.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.38 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 43.5 mt-30 73.53 134.5 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.269 0 O-C-N 124.3 1.0 . . . . 0.0 112.588 176.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.47 ' HA ' ' CG ' ' A' ' 109' ' ' ASP . 15.9 Cg_exo -67.9 149.85 78.03 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.136 2.557 . . . . 0.0 112.158 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.2 pt -96.5 -0.17 10.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.339 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.453 ' CZ2' ' HA ' ' A' ' 67' ' ' ASN . 84.4 m95 -72.1 88.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.824 0.821 . . . . 0.0 111.748 -175.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.7 m -152.69 -44.85 0.1 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.418 176.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.443 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 92.2 m-20 -96.95 121.96 57.86 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.78 174.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 11' ' ' ASN . 17.7 Cg_exo -61.25 -43.84 26.72 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.812 2.341 . . . . 0.0 112.407 -176.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -68.81 -38.41 79.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -176.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.32 -43.93 97.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.414 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.32 82.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.65 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.41 ' HE2' HG12 ' A' ' 47' ' ' VAL . 44.4 ttm -61.68 -30.0 70.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.635 179.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.8 m -65.37 -35.84 82.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.159 177.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.878 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -65.76 -42.19 91.19 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 176.584 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -62.3 -43.78 98.03 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.831 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -62.33 -54.74 36.18 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.265 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -60.13 -35.16 74.65 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.983 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.564 HD11 HD12 ' A' ' 97' ' ' LEU . 16.0 tp -61.12 -48.01 83.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.713 -179.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.5 t -63.94 -39.94 87.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.642 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -66.38 -38.56 87.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.049 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.9 t -65.65 -40.98 93.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.116 0.484 . . . . 0.0 109.976 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.58 -38.86 87.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.152 0.501 . . . . 0.0 110.828 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.5 t -62.63 -40.15 96.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.31 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -83.58 -11.86 56.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.591 -175.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.9 p -79.37 -58.35 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.567 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.54 0.56 60.88 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.767 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.86 HG23 HD12 ' A' ' 32' ' ' LEU . 5.2 m -74.04 -27.11 21.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.979 0.419 . . . . 0.0 110.538 177.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.86 HD12 HG23 ' A' ' 31' ' ' VAL . 5.5 mp -93.21 148.45 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.368 177.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.2 p -84.29 168.78 15.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.967 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.18 -25.81 67.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.067 0.46 . . . . 0.0 110.342 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.48 -55.81 18.31 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.691 176.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.406 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 44.3 mt-30 -62.24 -43.89 97.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.49 177.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 82.5 mmm -62.87 -38.18 89.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.72 -178.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.469 ' OD2' ' HE1' ' B' ' 61' ' ' HIS . 19.7 t70 -67.18 -38.14 84.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.798 0.332 . . . . 0.0 110.576 -178.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -64.72 -40.25 95.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.989 0.423 . . . . 0.0 110.532 176.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.565 ' O ' ' HB3' ' A' ' 43' ' ' MET . 90.7 mtp -68.7 -27.02 65.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.165 0.507 . . . . 0.0 110.175 175.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.73 -46.65 93.23 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.65 174.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.594 ' HA ' ' HB3' ' A' ' 45' ' ' ASP . 10.8 ptt? -73.05 -18.46 61.32 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.307 178.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.565 ' HB3' ' O ' ' A' ' 40' ' ' MET . 59.3 ttp -58.63 -56.64 19.53 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 172.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.9 90.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.56 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.594 ' HB3' ' HA ' ' A' ' 42' ' ' MET . 26.1 t70 -61.0 -43.12 99.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.987 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.1 p -65.57 -37.98 88.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.536 0.208 . . . . 0.0 110.969 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 43' ' ' MET . 14.3 t -70.0 -40.12 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.292 0.567 . . . . 0.0 109.493 175.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -57.93 -54.78 43.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.056 -0.974 . . . . 0.0 111.604 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 p -70.93 -32.92 69.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.871 -176.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -72.45 -28.28 62.83 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.348 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -58.18 -52.99 63.27 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.424 176.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -71.66 -18.83 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.056 0.455 . . . . 0.0 110.983 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -70.76 -17.86 62.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.776 172.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.592 ' SD ' ' HB3' ' A' ' 58' ' ' PRO . 75.6 mtm -107.26 -52.05 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.37 -149.26 20.09 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.249 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.4 140.39 43.9 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.834 2.356 . . . . 0.0 112.527 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 45.42 70.19 2.14 Favored Pre-proline 0 N--CA 1.464 0.229 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.308 -177.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.592 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 24.5 Cg_exo -65.2 158.03 54.39 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 123.042 2.495 . . . . 0.0 112.743 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.02 119.23 6.21 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.764 2.31 . . . . 0.0 111.629 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -53.41 -32.32 49.09 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -175.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.802 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 34.9 p80 -64.6 -27.88 69.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.2 0.524 . . . . 0.0 111.057 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.559 ' HD2' ' SD ' ' A' ' 54' ' ' MET . 15.0 ttm180 -72.5 -27.63 62.39 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.97 -40.41 53.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.7 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.802 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 32.5 ptt180 -61.85 -37.26 83.81 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.107 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.764 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -76.53 -37.15 57.14 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.059 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.54 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 94.9 mmm -69.03 -23.4 64.07 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 121.173 -0.211 . . . . 0.0 111.028 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.453 ' HA ' ' CZ2' ' A' ' 9' ' ' TRP . 21.4 t30 -55.19 -55.12 34.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.157 0.503 . . . . 0.0 109.895 172.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.485 HG22 ' HB1' ' B' ' 72' ' ' ALA . 28.7 m -73.37 -30.7 63.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.11 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.54 ' HB3' ' HA ' ' A' ' 66' ' ' MET . . . -61.75 -59.67 4.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.925 177.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.1 ttt -55.32 -44.94 76.3 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.809 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.428 ' HB1' HG22 ' A' ' 116' ' ' VAL . . . -62.1 -44.14 97.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.439 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.447 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -68.7 -34.74 76.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.227 -178.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 48.4 mt-10 -62.86 -40.89 98.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.818 0.342 . . . . 0.0 110.432 178.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 78' ' ' VAL . 79.6 t -70.19 -46.18 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.718 176.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.38 -36.28 75.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.809 0.337 . . . . 0.0 110.886 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.605 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 26.6 tp10 -62.71 -48.91 77.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.513 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.82 -27.97 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.55 -177.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 74' ' ' VAL . 94.7 t -76.86 -35.28 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.882 0.372 . . . . 0.0 110.269 177.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.04 -40.75 52.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.132 -177.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.5 m -90.74 72.98 6.68 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.627 0.727 . . . . 0.0 109.957 176.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.5 p -134.11 171.13 9.61 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 114.856 -1.065 . . . . 0.0 108.831 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -58.33 133.61 56.1 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 121.545 1.496 . . . . 0.0 110.736 173.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.63 -11.07 28.93 Favored 'Trans proline' 0 C--N 1.34 0.079 0 C-N-CA 122.469 2.113 . . . . 0.0 112.162 -173.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -97.8 -3.77 38.24 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.597 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.8 t -128.72 -0.8 5.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.687 -176.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -50.33 -58.87 4.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.555 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.3 m -60.65 -29.66 69.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.667 -176.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.1 -47.05 60.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.82 0.343 . . . . 0.0 110.197 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.53 -42.88 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.231 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -59.38 -52.97 63.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.554 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -62.5 -37.05 84.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.837 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.4 m -63.65 -55.12 25.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.68 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.461 ' HA ' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -60.28 -44.76 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.886 178.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.06 -41.71 85.86 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.55 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.94 -42.77 76.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.781 0.324 . . . . 0.0 110.586 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 84.7 m -59.28 -39.64 83.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.413 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.878 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 6.4 mp -56.0 -44.29 78.48 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.655 0.264 . . . . 0.0 111.443 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.404 ' HG3' HG11 ' A' ' 108' ' ' VAL . 37.1 ttt-85 -60.84 -52.88 63.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.048 0.452 . . . . 0.0 110.788 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -63.15 -47.65 81.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.909 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.6 m -55.55 -37.85 68.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.536 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.2 mmt -63.26 -44.44 95.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.975 0.416 . . . . 0.0 110.699 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 17.2 ttm -68.99 -30.51 68.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.052 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -79.9 -26.13 40.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.968 0.413 . . . . 0.0 110.724 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.05 -60.85 1.97 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.271 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.7 p -103.19 -41.46 6.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.256 0.551 . . . . 0.0 111.078 -177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 115.22 -4.66 21.95 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -174.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.0 m -126.42 137.93 53.48 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.404 HG11 ' HG3' ' A' ' 98' ' ' ARG . 57.4 t -87.23 106.89 16.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.833 0.349 . . . . 0.0 110.268 179.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.47 ' CG ' ' HA ' ' A' ' 7' ' ' PRO . 8.5 t70 -76.58 124.34 27.47 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.329 -0.396 . . . . 0.0 109.937 173.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -90.81 -15.36 30.2 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.104 -177.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.06 -51.03 51.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.728 -178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -68.57 -48.59 63.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.218 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.752 ' HA ' HD23 ' A' ' 97' ' ' LEU . 17.8 m -55.94 -42.49 76.24 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.481 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -72.68 -37.14 67.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.71 0.29 . . . . 0.0 110.576 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.29 -46.84 87.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.644 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.534 HG21 HD21 ' A' ' 97' ' ' LEU . 57.3 t -61.88 -34.38 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.826 178.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 30.3 mmt -70.11 -45.19 67.44 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -178.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -63.54 -38.47 91.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.968 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 116' ' ' VAL . 32.4 mt -59.75 -50.15 74.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.991 178.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.1 p -73.74 -34.53 41.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.205 -175.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -71.6 -23.36 61.7 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.679 0.276 . . . . 0.0 110.569 177.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -80.13 -45.69 17.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.765 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 67.8 mt -69.9 -23.16 63.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.282 0.563 . . . . 0.0 110.964 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.7 m -98.06 16.54 20.82 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.884 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -89.7 32.88 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.498 0.666 . . . . 0.0 110.494 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -79.8 13.56 2.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.231 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.4 m -138.61 93.54 2.74 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.344 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -97.08 28.19 3.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.241 0.543 . . . . 0.0 110.538 -177.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -106.85 150.72 26.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.696 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 60.59 39.78 17.49 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.494 0.664 . . . . 0.0 111.163 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 31.4 m -112.76 10.08 8.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.853 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.0 m -106.5 147.8 28.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.646 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 27.6 m . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.123 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 111.792 -0.523 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -83.52 139.25 33.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.991 0.424 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.25 67.32 0.85 Allowed Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.776 178.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -68.48 131.11 44.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.169 0.509 . . . . 0.0 110.694 -178.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' B' ' 6' ' ' GLN . 14.3 m -129.25 152.15 49.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.064 -179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' B' ' 5' ' ' SER . 84.7 mm-40 69.21 151.23 0.13 Allowed Pre-proline 0 N--CA 1.465 0.297 0 O-C-N 123.837 0.71 . . . . 0.0 111.376 -177.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -60.84 143.95 99.47 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.485 2.123 . . . . 0.0 111.911 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -75.29 0.95 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.869 -177.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -75.71 67.64 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.272 0.558 . . . . 0.0 111.639 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 85.8 m -118.06 -43.02 2.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.568 172.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -103.87 122.71 43.56 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.248 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -61.59 -40.27 48.15 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.891 2.394 . . . . 0.0 111.934 -177.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.2 -43.07 99.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.723 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.46 89.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.723 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.2 96.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.471 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 44.0 ttm -65.04 -30.07 71.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.769 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 38.9 m -63.68 -39.15 93.62 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 1.031 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -63.98 -47.0 82.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.546 176.334 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.422 ' O ' HG23 ' B' ' 23' ' ' VAL . 1.5 m -58.47 -43.75 89.04 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.038 178.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -69.28 -50.48 46.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.479 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -63.15 -31.99 73.27 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.795 0.331 . . . . 0.0 110.641 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.571 HD11 HD12 ' B' ' 97' ' ' LEU . 19.0 tp -60.16 -46.0 91.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.916 177.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 19' ' ' THR . 91.0 t -63.94 -41.51 92.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.743 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -62.01 -44.45 96.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.36 . . . . 0.0 110.784 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 33.7 t -66.12 -42.61 88.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.044 0.449 . . . . 0.0 110.552 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.72 -35.29 79.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.234 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 47.4 t -70.53 -17.58 62.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.318 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -111.09 13.53 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.717 0.294 . . . . 0.0 110.916 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.512 ' HB2' HG21 ' B' ' 92' ' ' THR . 91.1 p -73.42 -42.69 61.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.743 -174.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.12 12.59 83.87 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -171.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.539 ' HB ' HD12 ' B' ' 32' ' ' LEU . 4.9 t -111.23 -44.04 5.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.036 0.446 . . . . 0.0 110.274 -178.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.539 HD12 ' HB ' ' B' ' 31' ' ' VAL . 6.4 mp -88.36 151.19 22.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.085 -175.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 65.6 p -94.27 168.68 10.75 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.259 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.23 -27.72 69.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.098 0.475 . . . . 0.0 110.355 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -58.93 -59.25 5.76 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.745 175.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.511 ' HB3' ' HB ' ' B' ' 77' ' ' VAL . 37.6 mt-30 -63.18 -39.42 94.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.711 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 76.5 mmm -68.49 -35.54 77.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.968 -177.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -72.13 -28.79 63.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.977 0.418 . . . . 0.0 109.943 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.734 ' O ' ' HG2' ' B' ' 42' ' ' MET . 70.3 m-20 -67.57 -41.27 84.44 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.214 0.531 . . . . 0.0 110.552 171.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.569 ' O ' ' HB3' ' B' ' 43' ' ' MET . 85.4 mtp -71.61 -31.92 67.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.175 0.512 . . . . 0.0 110.732 177.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.19 -43.72 96.68 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.645 175.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.734 ' HG2' ' O ' ' B' ' 39' ' ' ASP . 16.8 ptt? -66.39 -28.18 68.44 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . 0.569 ' HB3' ' O ' ' B' ' 40' ' ' MET . 54.6 ttp -57.42 -50.76 71.96 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.27 175.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.91 98.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.355 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -75.61 -31.71 60.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.933 -175.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.6 p -68.44 -41.04 80.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.691 0.281 . . . . 0.0 110.938 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 43' ' ' MET . 43.1 t -61.58 -41.33 89.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.469 0.652 . . . . 0.0 109.522 173.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -63.39 -48.76 76.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.268 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.541 ' HA ' ' HG2' ' B' ' 52' ' ' GLN . 11.1 p -67.42 -33.02 74.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.671 -176.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -62.65 -41.43 99.04 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 81.4 mmm -62.75 -45.75 91.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.648 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.541 ' HG2' ' HA ' ' B' ' 49' ' ' SER . 12.7 pt20 -72.46 -22.01 61.14 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.15 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -69.59 -42.97 73.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.498 172.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . 0.459 ' SD ' ' HD2' ' B' ' 62' ' ' ARG . 69.5 mtm -79.21 -56.79 4.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.126 -178.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.56 -152.18 16.97 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.878 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.31 130.64 17.75 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.612 2.208 . . . . 0.0 112.256 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 63.78 88.68 0.11 Allowed Pre-proline 0 N--CA 1.466 0.355 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.805 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -87.44 162.28 8.17 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.87 2.38 . . . . 0.0 112.584 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.525 ' HG2' ' HB2' ' B' ' 62' ' ' ARG . 36.9 Cg_endo -66.66 148.39 83.06 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.823 2.349 . . . . 0.0 111.728 178.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -69.8 -34.83 74.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.982 0.42 . . . . 0.0 111.204 -174.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.73 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 19.6 p80 -65.07 -19.89 66.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.999 0.428 . . . . 0.0 111.213 178.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.54 ' O ' ' HG2' ' B' ' 66' ' ' MET . 0.1 OUTLIER -63.9 -45.65 88.37 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 175.153 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.9 -41.46 95.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.96 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.73 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 30.5 ptt180 -59.22 -36.61 75.73 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.724 0.297 . . . . 0.0 110.631 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.605 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -82.14 -40.17 22.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.507 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.54 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 93.8 mmm -62.15 -32.84 73.49 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.579 0.228 . . . . 0.0 111.069 -179.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -53.0 -54.46 34.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.645 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.447 HG22 ' HB1' ' A' ' 72' ' ' ALA . 4.5 m -69.03 -34.69 75.63 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.213 -177.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -62.86 -56.51 16.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.941 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 21.7 ttt -54.96 -46.02 75.0 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.874 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.77 -42.86 94.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.507 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.485 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -66.7 -35.21 79.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.246 -178.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 45.6 mt-10 -62.99 -41.28 99.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.31 . . . . 0.0 110.673 178.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.479 ' O ' HG23 ' B' ' 78' ' ' VAL . 73.7 t -68.86 -44.83 81.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.598 176.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.74 -36.97 75.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.806 0.336 . . . . 0.0 110.836 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.764 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 31.0 tp10 -59.9 -49.58 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.333 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.511 ' HB ' ' HB3' ' B' ' 36' ' ' GLN . 34.0 m -72.55 -25.14 22.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -175.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 74' ' ' VAL . 64.3 t -79.64 -34.94 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.069 0.462 . . . . 0.0 110.252 177.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.64 -46.01 20.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.173 -176.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 30.6 m -83.95 77.2 9.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.738 0.78 . . . . 0.0 109.95 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.0 p -147.67 173.02 4.53 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.689 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.69 133.09 43.34 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.561 1.507 . . . . 0.0 110.503 172.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.37 -12.99 37.96 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.436 2.091 . . . . 0.0 111.734 -174.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -86.14 -13.96 45.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.512 178.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . 0.426 ' O ' HG23 ' B' ' 89' ' ' VAL . 74.8 m -122.7 5.53 9.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.82 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -54.97 -59.39 4.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.161 0.505 . . . . 0.0 110.771 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 68.6 m -63.9 -25.43 68.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.119 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.88 -52.43 29.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.79 0.329 . . . . 0.0 110.229 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.499 HG22 HG12 ' B' ' 31' ' ' VAL . 59.0 t -61.79 -44.41 98.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.024 177.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.19 -52.25 66.09 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.875 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -61.74 -40.0 93.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.832 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.512 HG21 ' HB2' ' B' ' 29' ' ' SER . 60.8 m -64.34 -52.09 60.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.471 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' B' ' 93' ' ' ILE . 0.9 OUTLIER -59.64 -47.61 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.783 178.493 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.61 -42.52 84.74 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.447 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.34 -44.99 74.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.645 0.26 . . . . 0.0 111.0 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 93.1 m -60.78 -36.35 78.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.181 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 1.031 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 3.5 mp -57.14 -50.55 72.45 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.031 0.443 . . . . 0.0 110.984 176.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 98' ' ' ARG . 40.3 ttt180 -56.56 -44.69 81.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.288 -177.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -76.01 -37.99 57.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.303 -176.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 59.5 m -59.52 -39.5 84.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.572 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 10.8 mmt -63.52 -43.91 95.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 39.9 ttm -67.89 -30.94 70.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.206 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -80.03 -21.21 43.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.879 0.371 . . . . 0.0 110.969 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.67 -49.31 6.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.261 -178.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 66.5 p -107.37 -53.43 2.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.141 0.496 . . . . 0.0 111.106 -178.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 137.0 -10.73 3.9 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.436 -176.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 48.7 m -137.83 176.61 8.55 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 59.4 t -98.71 112.85 31.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.862 0.363 . . . . 0.0 111.531 -176.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -77.94 115.08 17.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.554 173.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.89 -19.39 25.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.7 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.71 -50.86 65.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.881 0.372 . . . . 0.0 110.717 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -71.1 -47.11 60.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.351 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.616 ' HA ' HD23 ' B' ' 97' ' ' LEU . 18.8 m -57.38 -41.48 80.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.832 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -70.81 -38.77 73.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.356 . . . . 0.0 110.325 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -56.67 -45.62 81.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.594 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.489 HG21 HD21 ' B' ' 97' ' ' LEU . 60.4 t -62.61 -36.58 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . 0.468 ' HG2' ' O ' ' B' ' 113' ' ' THR . 26.5 mmt -66.03 -46.33 78.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.067 0.46 . . . . 0.0 109.799 -178.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -64.93 -40.13 94.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.561 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 33.4 mt -61.51 -50.24 73.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.394 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 12.8 p -68.84 -32.97 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.284 -175.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' B' ' 117' ' ' MET . 28.5 mtpp -70.39 -39.46 74.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 110.718 178.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.406 ' HE3' ' HB3' ' B' ' 122' ' ' MET . 11.9 tmm? -70.62 -33.35 70.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.649 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.82 -10.54 59.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.654 0.74 . . . . 0.0 109.623 177.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 49.6 m -116.31 27.91 8.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.861 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.4 ' C ' ' H ' ' B' ' 127' ' ' SER . . . -84.82 50.31 1.89 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.26 -172.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -87.41 18.44 3.83 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 169.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . 0.4 ' H ' ' C ' ' B' ' 125' ' ' ALA . 5.6 m -77.47 76.72 4.01 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.782 -173.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -98.96 15.08 26.83 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 171.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -63.13 157.79 21.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.365 -1.289 . . . . 0.0 110.887 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.32 98.85 0.36 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.524 -175.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 27.6 m -102.56 5.93 10.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.887 172.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.31 145.09 56.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.386 -1.279 . . . . 0.0 112.271 -176.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 9.7 m . . . . . 0 C--O 1.248 1.012 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.999 177.188 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.993 0 N-CA-C 111.925 -0.47 . . . . 0.0 111.925 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 m -67.63 132.34 47.33 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 178.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.26 -40.09 2.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.865 -178.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -62.71 -36.1 81.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.301 0.572 . . . . 0.0 110.098 178.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -155.89 174.83 14.75 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 174.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -123.81 99.0 39.02 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.109 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.03 169.73 21.52 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.521 2.148 . . . . 0.0 111.283 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.3 pt -82.47 14.91 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.057 0.456 . . . . 0.0 111.481 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.402 ' CZ2' ' HA ' ' A' ' 67' ' ' ASN . 47.4 m95 -85.93 31.88 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.366 -177.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.1 p -73.03 -39.12 66.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.387 0.613 . . . . 0.0 109.588 174.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -122.54 137.51 27.91 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.58 174.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.776 ' HG3' ' HG3' ' A' ' 58' ' ' PRO . 31.4 Cg_endo -65.69 -33.38 44.87 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.66 2.24 . . . . 0.0 112.401 -175.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -74.41 -34.42 63.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.576 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.59 -46.33 86.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.226 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.81 -39.33 80.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.781 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.2 ttm -61.0 -29.98 70.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.613 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.0 m -63.14 -40.66 98.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.198 176.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.974 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -63.76 -41.89 97.9 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.234 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -60.87 -44.46 97.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.859 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -68.66 -50.37 51.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.635 -178.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -58.55 -35.53 72.48 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.778 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.537 HD11 HD12 ' A' ' 97' ' ' LEU . 15.1 tp -58.24 -44.85 88.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.433 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.97 -43.3 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.995 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -62.43 -40.81 97.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.265 0.555 . . . . 0.0 110.311 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.569 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -68.51 -35.62 77.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.325 179.62 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.64 -34.62 74.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.255 0.55 . . . . 0.0 110.898 174.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.9 t -70.8 -36.04 72.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.071 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.569 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 16.0 ptm180 -85.08 -1.13 56.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.342 -178.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 p -99.23 -47.0 5.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.023 0.44 . . . . 0.0 109.828 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.78 16.96 71.56 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.143 173.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.484 HG21 ' OG1' ' A' ' 92' ' ' THR . 20.7 t -76.8 -28.0 17.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.397 0.617 . . . . 0.0 110.323 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.461 ' HB3' ' HB2' ' A' ' 36' ' ' GLN . 5.5 mp -90.8 155.99 18.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.078 -174.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.3 p -92.5 178.18 5.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.705 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 -41.83 92.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.077 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.598 ' HB3' HH22 ' B' ' 64' ' ' ARG . 6.3 m-20 -57.32 -51.81 67.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.056 0.455 . . . . 0.0 110.55 177.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.461 ' HB2' ' HB3' ' A' ' 32' ' ' LEU . 21.5 mt-30 -65.3 -42.66 92.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.188 -175.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 91.5 mmm -67.45 -37.07 82.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -71.57 -27.14 62.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.21 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.23 -48.87 63.99 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.197 173.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.0 mtp -64.28 -35.28 80.32 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.995 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.19 -42.96 99.73 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.552 175.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.9 tmm? -64.77 -36.41 84.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.607 0.241 . . . . 0.0 110.463 177.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.415 ' O ' HG23 ' A' ' 47' ' ' VAL . 49.8 ttp -55.82 -46.73 78.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.748 177.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.38 93.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.775 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.9 -37.87 87.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.412 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.4 t -56.2 -48.25 76.78 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.512 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 43' ' ' MET . 17.7 t -61.88 -37.81 79.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.097 0.475 . . . . 0.0 110.475 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -70.06 -32.76 71.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.568 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.467 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 67.1 m -59.21 -39.91 84.13 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -170.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.461 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 26.6 mt-30 -87.52 -17.22 32.57 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.749 -178.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 87.2 mmm -76.85 -35.48 57.46 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.092 172.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -78.79 -16.85 56.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.88 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 49' ' ' SER . 57.2 mttm -60.09 -37.09 78.91 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.761 0.791 . . . . 0.0 110.001 169.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.636 ' HE3' HH11 ' A' ' 62' ' ' ARG . 22.5 ptp -116.5 -165.27 1.04 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.153 -168.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -136.19 -95.88 0.46 Allowed Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.867 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -85.6 125.95 2.95 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 123.133 2.555 . . . . 0.0 113.576 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 67.66 97.5 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.431 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.294 172.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.776 ' HG3' ' HG3' ' A' ' 12' ' ' PRO . 93.4 Cg_endo -80.45 160.95 22.55 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.5 2.133 . . . . 0.0 112.426 176.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.449 ' HG2' ' HB2' ' A' ' 62' ' ' ARG . 21.8 Cg_endo -63.16 122.64 10.93 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.816 2.344 . . . . 0.0 111.505 174.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -64.34 -35.54 81.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.298 0.571 . . . . 0.0 110.577 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.651 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 21.3 p80 -65.49 -25.54 67.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.373 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.636 HH11 ' HE3' ' A' ' 54' ' ' MET . 26.5 ttp180 -70.19 -33.62 71.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.45 -46.32 80.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.533 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 61' ' ' HIS . 18.8 ptt180 -62.84 -35.68 80.75 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.713 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.738 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -74.49 -43.24 56.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.592 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.432 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 80.3 mtp -76.61 -14.52 59.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.128 -177.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.402 ' HA ' ' CZ2' ' A' ' 9' ' ' TRP . 55.3 t-20 -53.98 -63.37 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.851 175.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.512 HG21 HD11 ' B' ' 123' ' ' LEU . 84.2 m -66.66 -25.42 66.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.139 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -62.06 -49.72 74.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.596 0.236 . . . . 0.0 110.744 177.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.2 ttt -58.61 -46.01 87.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.358 177.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.411 ' HB2' ' CE1' ' A' ' 112' ' ' PHE . . . -62.82 -43.59 98.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.475 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.548 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -62.86 -41.1 99.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.34 -178.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 77' ' ' VAL . 44.7 mt-10 -62.74 -42.44 99.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.222 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.35 -47.62 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.89 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.45 89.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.702 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.78 ' HG2' ' HA ' ' B' ' 65' ' ' ALA . 35.7 tp10 -58.25 -49.48 76.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.308 176.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 73' ' ' GLU . 94.3 t -55.04 -47.82 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.028 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.3 t -67.38 -41.59 86.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.295 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.65 -14.81 61.23 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.468 HG21 ' HD2' ' B' ' 64' ' ' ARG . 3.0 m -106.06 19.22 20.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.343 0.592 . . . . 0.0 110.695 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.6 p -84.87 169.17 17.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . 26.1 Cg_exo -63.07 139.09 71.14 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.821 1.68 . . . . 0.0 110.51 176.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 82' ' ' PRO . 21.6 Cg_exo -55.32 -32.04 79.51 Favored 'Trans proline' 0 CA--C 1.519 -0.266 0 C-N-CA 122.561 2.174 . . . . 0.0 111.793 -174.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -81.87 -4.8 57.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.561 -176.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.6 m -128.42 0.93 5.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.936 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -57.61 -47.28 82.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.851 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.2 t -63.17 -34.74 78.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.711 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.33 -51.3 31.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.727 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.86 -43.31 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.38 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.4 tt -57.16 -51.51 69.05 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.085 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -57.53 -40.24 78.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.065 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.484 ' OG1' HG21 ' A' ' 31' ' ' VAL . 44.4 m -65.71 -50.85 63.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.351 -177.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.1 mm -64.94 -46.68 90.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.01 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.31 -43.25 89.65 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.545 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.4 -12.66 58.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.943 0.401 . . . . 0.0 111.088 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.498 ' SG ' HD12 ' A' ' 22' ' ' LEU . 50.7 t -84.5 -36.44 22.22 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.601 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.974 ' HG ' ' HE1' ' A' ' 18' ' ' MET . 7.7 mp -59.54 -39.79 85.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.859 0.361 . . . . 0.0 111.092 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.418 ' HA ' HG23 ' A' ' 108' ' ' VAL . 51.2 ttt180 -57.99 -45.44 86.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.477 176.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -69.83 -50.17 45.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.057 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.1 m -54.39 -40.74 68.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.586 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.51 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 13.2 mmt -64.41 -43.25 94.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.921 0.391 . . . . 0.0 111.027 177.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 17.4 ttm -70.32 -26.22 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.422 -177.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -84.89 -31.74 23.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.925 0.393 . . . . 0.0 110.871 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.13 -60.21 2.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.378 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 73.1 p -103.31 -33.62 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.976 0.417 . . . . 0.0 111.316 -175.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 114.64 -10.85 21.38 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -176.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.1 m -132.47 149.12 52.39 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.51 ' HA ' ' HB3' ' A' ' 101' ' ' MET . 4.2 p -96.95 114.7 34.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.277 0.56 . . . . 0.0 110.948 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -78.3 134.56 37.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.965 173.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -97.1 -14.95 21.22 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.369 -177.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.3 -53.34 37.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.76 0.314 . . . . 0.0 110.46 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 71' ' ' ALA . 74.1 t80 -68.37 -47.93 66.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.263 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.582 ' HA ' HD23 ' A' ' 97' ' ' LEU . 17.9 m -56.42 -37.95 70.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.162 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 63.8 t30 -77.56 -34.06 53.87 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.426 178.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -56.98 -47.85 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.951 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.571 ' HA ' HD12 ' A' ' 119' ' ' LEU . 15.0 m -64.19 -30.54 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.715 0.293 . . . . 0.0 110.978 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.436 ' HE2' ' HA ' ' A' ' 117' ' ' MET . 27.7 mmt -70.81 -40.97 72.19 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -178.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 114' ' ' ASN . 25.0 mm-40 -68.02 -42.16 81.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.816 177.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 116' ' ' VAL . 19.2 mt -57.39 -51.65 68.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.336 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.82 -28.65 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.3 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 125' ' ' ALA . 98.0 mttt -76.57 -13.94 60.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.064 0.459 . . . . 0.0 110.569 176.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 47.6 ttp -93.59 -44.61 8.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.417 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.49 -33.12 72.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.484 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.8 t -98.53 17.67 18.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.057 -175.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 121' ' ' LYS . . . -89.53 30.04 1.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -172.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -78.57 117.71 20.0 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.817 176.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.6 m -83.99 84.17 7.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.078 0.466 . . . . 0.0 110.56 -178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.31 29.91 0.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.68 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -80.2 103.01 9.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.222 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -107.06 99.42 8.98 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.5 m -81.06 -11.93 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.919 0.39 . . . . 0.0 110.921 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.8 p -128.59 141.01 51.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.519 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 120.851 0.358 . . . . 0.0 110.676 178.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -151.05 118.25 5.95 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 127.09 -60.32 0.66 Allowed Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -175.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -82.22 -9.91 59.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.345 0.593 . . . . 0.0 109.82 174.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 34.8 m -141.5 156.79 45.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.15 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -116.96 90.48 32.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 123.172 0.295 . . . . 0.0 111.188 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -91.88 -177.06 0.87 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.679 2.253 . . . . 0.0 111.814 175.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 pt -89.36 3.31 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.961 0.41 . . . . 0.0 110.872 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -80.07 54.63 1.96 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.233 0.539 . . . . 0.0 111.638 -175.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.6 p -107.36 -17.83 14.03 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.493 0.663 . . . . 0.0 109.863 174.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.457 ' HA ' ' HD3' ' B' ' 12' ' ' PRO . 46.9 m-80 -135.93 132.07 19.22 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.99 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . 0.715 ' HG3' HH22 ' B' ' 62' ' ' ARG . 20.3 Cg_exo -61.12 -46.45 15.55 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.78 2.32 . . . . 0.0 112.409 -176.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -68.97 -40.15 79.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.707 -175.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -45.91 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.922 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.33 84.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' MET . . . . . 0.486 ' HE2' HG12 ' B' ' 47' ' ' VAL . 47.9 ttm -64.17 -25.98 68.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.784 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 46.1 m -65.42 -34.76 79.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.034 0.445 . . . . 0.0 110.197 177.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 0.992 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.1 OUTLIER -65.77 -43.79 87.76 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 176.666 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -41.49 92.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.727 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -65.33 -51.74 58.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.529 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.21 -31.28 70.01 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.092 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.561 HD11 HD12 ' B' ' 97' ' ' LEU . 12.1 tp -63.94 -45.95 86.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.969 0.414 . . . . 0.0 110.54 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 66.1 t -64.7 -38.87 83.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.702 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -61.18 -41.31 96.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.796 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -50.21 74.9 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.944 0.402 . . . . 0.0 110.915 174.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.474 ' HB1' HD13 ' B' ' 32' ' ' LEU . . . -62.36 -38.99 91.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.344 -176.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 37.1 t -68.58 -40.6 80.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.032 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -76.25 -29.86 57.67 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.147 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 36.2 p -73.78 -51.91 14.87 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.884 0.373 . . . . 0.0 110.53 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.38 14.21 81.76 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.388 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 12.0 p -83.22 -12.49 12.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.517 0.675 . . . . 0.0 110.102 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.489 ' HB3' ' HB2' ' B' ' 36' ' ' GLN . 5.6 mp -97.18 152.21 19.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.492 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 42.9 p -86.18 175.59 8.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.216 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.54 83.56 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.808 0.337 . . . . 0.0 110.391 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.515 ' HB3' HH22 ' A' ' 64' ' ' ARG . 2.3 m-20 -51.44 -61.89 1.96 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.633 0.73 . . . . 0.0 110.222 172.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.489 ' HB2' ' HB3' ' B' ' 32' ' ' LEU . 23.3 mt-30 -62.42 -39.67 94.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.353 -1.294 . . . . 0.0 111.753 -172.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 77.7 mmm -65.64 -40.98 93.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.477 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -75.84 -30.37 58.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.443 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.3 -47.13 80.64 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.921 0.391 . . . . 0.0 110.388 174.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.438 ' O ' ' HB3' ' B' ' 43' ' ' MET . 89.4 mtp -67.96 -36.05 79.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 179.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.96 -43.17 97.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.353 175.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 9.5 tmm? -59.88 -42.89 94.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.742 0.306 . . . . 0.0 110.267 175.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . 0.461 ' O ' HG23 ' B' ' 47' ' ' VAL . 47.8 ttp -50.69 -47.42 58.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.113 177.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.22 88.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.389 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -70.19 -34.1 72.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.044 0.449 . . . . 0.0 110.715 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -61.85 -48.79 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.223 175.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.486 HG12 ' HE2' ' B' ' 16' ' ' MET . 75.7 t -58.5 -36.4 59.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.584 178.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.478 ' O ' ' HG2' ' B' ' 51' ' ' MET . 9.1 m-80 -63.19 -40.91 98.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.533 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.413 ' HA ' ' HG2' ' B' ' 52' ' ' GLN . 72.2 m -59.97 -36.14 76.48 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.869 177.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -88.09 27.0 1.26 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.59 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' B' ' 48' ' ' ASN . 8.8 ptm -129.42 -32.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 167.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' B' ' 48' ' ' ASN . 3.7 pt20 -79.45 -24.97 42.07 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.005 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -68.48 -19.27 64.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.11 175.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . 0.511 ' SD ' ' HD2' ' B' ' 59' ' ' PRO . 66.5 mtm -122.65 -176.7 3.45 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.864 -177.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -126.17 -129.91 3.36 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.129 -1.034 . . . . 0.0 113.323 -175.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -85.15 12.06 3.19 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 123.302 2.668 . . . . 0.0 113.531 -172.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -156.34 80.67 3.74 Favored Pre-proline 0 C--N 1.316 -0.848 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.044 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -90.2 154.45 4.67 Favored 'Trans proline' 0 N--CA 1.449 -1.096 0 C-N-CA 122.926 2.417 . . . . 0.0 112.627 174.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.511 ' HD2' ' SD ' ' B' ' 54' ' ' MET . 28.1 Cg_endo -63.1 138.26 66.28 Favored 'Trans proline' 0 C--O 1.238 0.507 0 C-N-CA 123.408 2.739 . . . . 0.0 112.933 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -76.21 -37.33 57.92 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.704 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.846 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 25.2 p80 -60.73 -31.62 70.92 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 121.436 0.636 . . . . 0.0 109.819 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.715 HH22 ' HG3' ' B' ' 12' ' ' PRO . 2.5 ttp180 -59.95 -37.53 79.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.112 176.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.3 mt -68.58 -39.4 80.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.888 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.846 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 32.8 ptt180 -62.93 -33.71 75.92 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.179 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . 0.78 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . . . -80.33 -36.4 34.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.863 0.363 . . . . 0.0 111.231 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.514 ' HG3' ' O ' ' B' ' 62' ' ' ARG . 84.6 mtp -70.04 -22.86 63.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.677 178.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -52.53 -54.75 28.46 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.363 172.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.548 HG22 ' HB1' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -66.71 -34.61 78.22 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.886 -179.4 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -62.35 -53.96 47.34 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.438 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 21.6 ttt -59.81 -44.27 94.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.017 0.437 . . . . 0.0 110.512 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.77 -46.15 83.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.498 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.54 -38.43 89.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.406 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.549 ' O ' HG23 ' B' ' 77' ' ' VAL . 42.6 mt-10 -62.44 -46.62 87.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.6 179.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.41 ' O ' ' HB ' ' B' ' 77' ' ' VAL . 38.8 t -59.72 -45.42 94.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.831 0.348 . . . . 0.0 110.993 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.38 99.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.591 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.738 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 13.0 tp10 -59.58 -39.71 85.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.887 175.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.549 HG23 ' O ' ' B' ' 73' ' ' GLU . 42.9 t -60.09 -48.41 88.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.875 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.525 HG11 HD12 ' B' ' 90' ' ' LEU . 22.5 t -71.94 -33.92 49.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.079 -177.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.38 5.89 16.12 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . 0.417 ' O ' HG22 ' B' ' 80' ' ' THR . 14.9 m -113.44 15.66 19.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.848 0.832 . . . . 0.0 109.779 176.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 87.8 p -92.5 158.53 38.39 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.735 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.23 150.7 87.86 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.23 1.953 . . . . 0.0 111.078 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -55.48 -35.94 93.24 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.615 2.21 . . . . 0.0 111.481 -176.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -74.98 -11.78 60.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.032 -0.986 . . . . 0.0 111.996 -177.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 14.6 m -117.79 -9.89 10.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.7 0.286 . . . . 0.0 110.923 -177.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -54.13 -50.18 67.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.617 -175.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 35.4 t -61.69 -44.35 97.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.817 0.342 . . . . 0.0 110.9 -177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.66 75.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.166 -178.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 73.9 t -64.72 -45.25 95.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.633 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.755 HD11 HG11 ' B' ' 120' ' ' VAL . 13.5 tp -58.3 -49.81 75.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.687 -178.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -60.3 -38.77 84.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.027 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 55.6 m -66.73 -50.75 61.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.776 -177.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.1 mm -62.07 -49.11 85.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.753 178.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.24 -42.51 88.46 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.695 -177.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.44 -38.68 68.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.838 0.351 . . . . 0.0 111.04 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' CYS . . . . . . . . . . . . . 22.8 m -70.03 -27.89 65.04 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.992 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 4.7 mp -59.36 -37.13 77.1 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.464 176.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . 0.493 ' HA ' HG23 ' B' ' 108' ' ' VAL . 73.1 ttt-85 -63.89 -48.39 76.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.176 176.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -67.35 -49.66 63.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.196 -177.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 66.8 m -54.07 -42.81 69.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.247 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.507 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 13.7 mmt -62.77 -45.98 90.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.037 0.446 . . . . 0.0 110.77 177.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 31.6 ttm -70.33 -23.6 62.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.472 -176.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -91.1 -8.93 47.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.939 0.4 . . . . 0.0 110.85 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.37 -55.9 2.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.339 -179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . . . . . . . . . 70.0 p -105.5 -8.75 17.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.125 0.488 . . . . 0.0 110.892 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.17 5.03 86.09 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.577 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 12.5 p -149.11 144.27 26.54 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.507 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 2.5 p -89.81 114.11 27.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.053 0.454 . . . . 0.0 110.997 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.89 133.08 43.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.765 172.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -92.59 -22.22 19.62 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.798 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.81 -50.29 67.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.698 0.285 . . . . 0.0 110.764 -177.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -71.71 -46.53 58.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.531 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.584 ' HA ' HD23 ' B' ' 97' ' ' LEU . 13.8 m -59.39 -39.39 83.23 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.823 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -72.27 -39.33 68.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.763 0.316 . . . . 0.0 110.477 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.426 ' OE1' ' HA ' ' B' ' 68' ' ' THR . 34.0 tt0 -54.05 -51.37 64.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.407 -175.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.511 ' HA ' HD12 ' B' ' 119' ' ' LEU . 17.6 m -64.67 -31.33 53.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 111.48 0.178 . . . . 0.0 111.48 -176.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . 0.596 ' HA ' ' HE2' ' B' ' 117' ' ' MET . 28.2 mmt -71.43 -29.24 64.66 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.935 0.398 . . . . 0.0 110.287 -177.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -83.15 -41.07 18.92 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.838 175.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' B' ' 116' ' ' VAL . 22.5 mt -55.23 -53.9 50.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.345 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . 0.755 HG11 HD11 ' B' ' 90' ' ' LEU . 12.3 p -63.74 -40.71 90.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.831 -172.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.99 -33.84 70.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.846 0.355 . . . . 0.0 110.608 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . . . . . . . . . 40.5 ttp -66.02 -37.59 86.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.016 175.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.512 HD11 HG21 ' A' ' 68' ' ' THR . 88.0 mt -82.45 3.16 29.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.763 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 46.3 m -120.94 15.35 11.65 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.171 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -84.79 20.93 1.67 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.405 0.621 . . . . 0.0 111.542 -174.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -111.82 102.22 10.5 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.602 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 18.1 m -116.79 157.49 25.47 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.86 35.83 1.04 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.697 0.284 . . . . 0.0 110.937 -174.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -61.05 97.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.242 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -117.61 118.19 31.44 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 30.4 m -87.69 -20.21 7.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.47 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 15.7 m -134.15 137.21 44.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.022 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.133 -0.937 . . . . 0.0 109.222 175.928 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.674 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -91.71 115.97 28.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.889 0.376 . . . . 0.0 110.365 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.21 77.55 1.35 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.558 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -172.13 -56.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.052 0.453 . . . . 0.0 110.191 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -104.76 147.11 28.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.446 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -120.07 82.12 29.01 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 173.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -91.92 113.15 0.33 Allowed 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 123.207 2.605 . . . . 0.0 112.642 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.977 ' HB ' HG21 ' A' ' 105' ' ' THR . 2.6 pp -80.39 -10.17 12.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.476 ' CZ2' ' HA ' ' A' ' 67' ' ' ASN . 76.1 m95 -81.32 26.21 0.46 Allowed 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.54 -178.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -82.18 -8.99 59.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.427 0.632 . . . . 0.0 109.757 175.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -134.27 119.6 14.45 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.867 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -68.91 -35.09 16.13 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.863 2.375 . . . . 0.0 112.883 -173.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -79.57 -31.92 41.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.99 0.424 . . . . 0.0 110.375 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.8 81.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.108 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.38 90.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.593 177.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.407 ' HE2' ' HB2' ' A' ' 16' ' ' MET . 50.1 ttm -61.16 -32.1 71.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.661 177.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.7 m -64.82 -35.93 82.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.348 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.465 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 0.1 OUTLIER -66.01 -42.03 90.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 177.611 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.24 -42.8 99.64 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.499 177.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -65.82 -44.01 86.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.286 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -63.59 -36.09 82.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.378 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.646 HD21 HD12 ' A' ' 97' ' ' LEU . 32.6 mt -59.92 -44.56 94.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.726 0.298 . . . . 0.0 111.036 177.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.5 t -65.55 -36.6 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.96 0.41 . . . . 0.0 110.498 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.421 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 43.1 mt-30 -65.21 -52.62 53.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.762 177.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.535 ' HA ' ' HG2' ' A' ' 28' ' ' ARG . 31.6 p -66.92 -34.31 77.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.637 0.256 . . . . 0.0 111.081 -176.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.83 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.916 0.388 . . . . 0.0 111.141 177.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.8 t -69.09 -26.0 64.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.18 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.535 ' HG2' ' HA ' ' A' ' 25' ' ' CYS . 13.0 ptm85 -96.85 -2.31 44.27 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.613 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.5 p -97.48 -45.81 6.29 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.45 28.69 65.22 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.745 -0.662 . . . . 0.0 112.987 174.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.7 t -87.14 -26.71 5.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.742 0.782 . . . . 0.0 109.323 175.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HG ' HG13 ' A' ' 89' ' ' VAL . 5.3 mp -86.62 156.48 20.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.268 -177.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.503 ' H ' ' NE2' ' A' ' 36' ' ' GLN . 49.9 p -91.11 174.46 7.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.646 -178.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.65 91.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.703 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.79 -50.26 72.86 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.401 0.62 . . . . 0.0 109.819 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.503 ' NE2' ' H ' ' A' ' 33' ' ' THR . 48.9 mt-30 -63.79 -44.29 93.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.611 -177.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 82.1 mmm -64.07 -41.66 97.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.589 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.514 ' OD2' ' HD3' ' B' ' 62' ' ' ARG . 35.5 t70 -68.32 -34.4 76.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 110.763 -178.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -64.26 -48.5 75.51 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.025 0.44 . . . . 0.0 110.231 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.52 ' HG3' HG21 ' A' ' 77' ' ' VAL . 89.1 mtp -65.44 -29.77 70.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.667 177.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.06 -48.57 85.41 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.99 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 9.1 ptt? -73.35 -20.13 60.84 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.114 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.444 ' SD ' HG23 ' A' ' 74' ' ' VAL . 47.1 ttp -61.85 -50.72 71.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.952 0.406 . . . . 0.0 110.132 175.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.51 94.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.425 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.9 -32.15 72.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.504 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.7 t -60.84 -47.47 86.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.453 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 43' ' ' MET . 14.7 t -61.97 -36.06 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.983 0.42 . . . . 0.0 110.192 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.689 ' O ' ' HG3' ' A' ' 51' ' ' MET . 24.6 m-80 -75.64 -41.27 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.08 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 11.4 p -70.32 -49.5 48.8 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.963 -0.46 . . . . 0.0 111.193 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -63.35 -32.25 73.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.306 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.689 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 4.4 ppp? -67.86 -36.63 80.63 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.179 179.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.626 ' HG3' ' O ' ' A' ' 48' ' ' ASN . 44.3 mt-30 -75.04 -23.68 58.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 110.506 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 49' ' ' SER . 13.5 mmmm -68.65 -24.54 64.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.793 174.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 66.1 mtm -108.12 -41.65 4.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.61 -173.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.96 172.8 12.87 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.27 -19.71 56.05 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.486 2.124 . . . . 0.0 112.435 -178.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -132.96 75.42 72.28 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.814 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.82 158.45 46.75 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.733 2.288 . . . . 0.0 112.942 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.742 ' HG2' ' HG2' ' A' ' 62' ' ' ARG . 19.9 Cg_endo -63.9 153.32 76.44 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.848 2.365 . . . . 0.0 111.97 176.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -55.0 -44.57 74.62 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -172.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.464 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 12.9 p80 -66.8 -18.37 65.34 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.871 -173.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.742 ' HG2' ' HG2' ' A' ' 59' ' ' PRO . 34.9 mmt180 -65.98 -47.15 75.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 68.4 mt -65.76 -31.7 72.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.989 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.73 HH11 ' HG2' ' A' ' 64' ' ' ARG . 26.7 ttp85 -54.08 -52.07 62.12 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.956 175.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.674 ' HA ' ' HG2' ' B' ' 76' ' ' GLU . . . -76.87 -32.43 57.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.631 -178.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 62' ' ' ARG . 85.3 mmm -60.64 -32.31 71.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.663 -178.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.476 ' HA ' ' CZ2' ' A' ' 9' ' ' TRP . 6.4 t30 -52.49 -55.32 22.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.095 0.474 . . . . 0.0 110.744 176.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.468 HG22 ' HB1' ' B' ' 72' ' ' ALA . 26.4 m -76.1 -28.42 57.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.013 -176.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.557 ' O ' ' HG3' ' A' ' 73' ' ' GLU . . . -61.22 -55.43 32.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.825 0.345 . . . . 0.0 110.626 177.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.8 ttt -60.6 -43.03 97.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.609 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.95 95.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.298 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.453 ' HB1' HG22 ' B' ' 68' ' ' THR . . . -65.04 -40.06 94.26 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.278 -178.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' ' 69' ' ' ALA . 42.6 mt-10 -60.88 -48.15 83.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.98 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.444 HG23 ' SD ' ' A' ' 43' ' ' MET . 53.5 t -61.27 -43.57 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.968 0.413 . . . . 0.0 110.792 177.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.82 -42.41 97.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.501 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.42 -39.63 93.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.005 0.431 . . . . 0.0 110.008 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.52 HG21 ' HG3' ' A' ' 40' ' ' MET . 28.9 t -56.23 -55.19 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.91 176.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.442 ' HB ' HG21 ' A' ' 120' ' ' VAL . 52.5 t -67.27 -38.56 81.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.61 -177.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.81 -26.74 65.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -176.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.4 m -98.08 28.54 3.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.846 0.832 . . . . 0.0 110.964 -176.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 87.4 p -97.2 161.38 26.35 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 170.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.16 135.51 70.34 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 121.633 1.556 . . . . 0.0 110.478 174.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -62.65 -13.53 34.45 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.629 2.22 . . . . 0.0 112.229 -172.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -84.25 -18.23 37.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.856 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 t -119.34 -1.1 10.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.072 0.463 . . . . 0.0 110.254 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -51.93 -56.34 14.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.29 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.2 m -60.54 -27.38 67.6 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.834 -176.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.23 -48.91 25.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.981 0.42 . . . . 0.0 110.459 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.495 HG13 ' HG ' ' A' ' 32' ' ' LEU . 60.7 t -64.16 -42.42 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.055 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 tt -56.02 -52.38 64.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.472 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -58.73 -42.1 87.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.3 m -61.41 -46.25 90.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.612 -177.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 93' ' ' ILE . 1.2 mm -68.91 -45.12 81.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.779 177.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.53 -41.89 98.9 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.522 -178.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.03 -39.99 83.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.806 0.336 . . . . 0.0 110.54 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.431 ' SG ' HD23 ' A' ' 22' ' ' LEU . 49.2 t -68.69 -36.58 78.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.122 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.646 HD12 HD21 ' A' ' 22' ' ' LEU . 1.1 mp -50.54 -56.75 10.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.679 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -60.09 -48.08 83.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.095 -175.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.06 -43.14 83.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.019 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.6 m -54.52 -39.58 67.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.336 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.698 ' HG3' ' HB3' ' A' ' 109' ' ' ASP . 20.6 mmt -66.65 -40.54 88.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.76 0.314 . . . . 0.0 110.744 177.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.0 tpp -61.35 -32.66 72.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.918 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -84.98 -39.73 17.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.559 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.33 -55.63 11.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.865 -176.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.977 HG21 ' HB ' ' A' ' 8' ' ' ILE . 76.4 p -103.25 -34.07 8.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.978 0.418 . . . . 0.0 111.287 -175.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 109.1 -2.22 31.43 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.551 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.0 m -133.3 157.65 44.93 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.6 t -85.64 108.32 17.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.312 0.577 . . . . 0.0 110.4 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.698 ' HB3' ' HG3' ' A' ' 101' ' ' MET . 0.1 OUTLIER -67.24 137.95 56.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.025 171.694 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -126.94 19.05 7.15 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -103.41 -54.45 2.59 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 116' ' ' VAL . 65.6 t80 -70.8 -46.87 62.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.943 178.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.591 ' HA ' HD23 ' A' ' 97' ' ' LEU . 30.8 m -60.76 -39.85 90.3 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.186 0.517 . . . . 0.0 110.467 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -66.07 -44.43 84.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.368 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.07 -47.43 85.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.733 -176.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 112' ' ' PHE . 71.5 t -57.38 -41.61 78.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.959 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 30.3 mmt -63.95 -43.35 96.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.057 -177.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -72.72 -37.97 67.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.795 0.331 . . . . 0.0 110.575 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 24.0 mt -58.06 -52.82 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.133 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.442 HG21 ' HB ' ' A' ' 78' ' ' VAL . 10.8 p -67.51 -31.9 54.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.357 -175.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -70.07 -42.98 72.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.447 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 12.9 tmm? -66.18 -43.16 87.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.951 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 88.8 mt -71.19 -16.37 62.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.726 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.4 t -108.62 3.75 23.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.99 0.424 . . . . 0.0 110.492 -179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -86.73 93.65 9.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.256 0.55 . . . . 0.0 110.033 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -84.43 88.59 7.29 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.666 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.7 m -152.79 161.1 42.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.271 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.48 25.28 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.461 0.648 . . . . 0.0 109.738 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -79.94 172.57 13.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.315 -174.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -135.01 119.68 18.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.307 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 31.1 m -98.23 10.45 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.161 0.505 . . . . 0.0 111.062 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.6 p -107.36 151.95 24.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.959 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.297 177.314 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.233 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -96.18 159.34 15.01 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.48 56.84 4.14 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.569 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -154.28 177.39 11.18 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 44.7 m -66.82 139.67 57.79 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -96.64 116.04 65.93 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 121.116 0.484 . . . . 0.0 110.928 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -91.07 148.66 3.76 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.04 2.494 . . . . 0.0 112.452 177.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.432 ' HB ' HG21 ' B' ' 105' ' ' THR . 2.5 pp -81.6 1.44 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.18 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 53.1 m95 -75.67 12.93 0.9 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.901 -178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.2 m -74.26 -19.75 60.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.721 0.772 . . . . 0.0 108.945 170.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -122.17 115.64 30.17 Favored Pre-proline 0 N--CA 1.452 -0.33 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.464 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . 0.476 ' HG3' ' HD2' ' B' ' 58' ' ' PRO . 37.8 Cg_endo -71.55 -30.27 15.2 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.935 2.423 . . . . 0.0 112.52 -176.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -70.16 -40.76 74.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.056 0.455 . . . . 0.0 109.855 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.493 ' HB1' HG22 ' B' ' 105' ' ' THR . . . -63.17 -47.28 83.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.523 178.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.49 98.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.848 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 46.5 ttm -61.54 -35.83 78.84 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.983 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 35.3 m -62.68 -38.96 92.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.157 0.504 . . . . 0.0 109.847 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' MET . . . . . 1.044 ' HE1' ' HG ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -64.15 -40.27 95.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.845 178.618 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -60.63 -42.77 97.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.049 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -71.39 -38.48 71.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.097 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.449 ' HA ' HE21 ' B' ' 24' ' ' GLN . 95.0 m-20 -62.41 -38.84 91.22 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.131 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.411 HD23 ' SG ' ' B' ' 96' ' ' CYS . 48.6 mt -59.81 -40.02 86.97 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.986 0.422 . . . . 0.0 111.475 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 97.0 t -67.39 -37.87 79.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.998 0.428 . . . . 0.0 110.475 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.449 HE21 ' HA ' ' B' ' 21' ' ' ASN . 48.3 mt-30 -63.48 -50.88 67.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.269 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 0.52 ' HA ' ' HG2' ' B' ' 28' ' ' ARG . 29.8 p -66.76 -36.57 82.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.718 0.294 . . . . 0.0 110.895 -177.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.28 -44.12 92.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.888 0.375 . . . . 0.0 111.271 176.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 34.0 t -65.72 -40.66 92.44 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.52 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 4.2 ptm180 -78.3 -21.96 48.9 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.502 -177.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.9 p -78.01 -41.67 35.09 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.26 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.29 19.5 78.27 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.708 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.442 HG12 HG22 ' B' ' 89' ' ' VAL . 19.3 t -81.67 -40.55 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.319 0.58 . . . . 0.0 110.091 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.422 ' N ' HD12 ' B' ' 32' ' ' LEU . 5.5 mp -78.54 158.06 28.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.817 -176.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 28.0 p -92.72 175.49 6.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.972 -177.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.82 96.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.827 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.74 -42.61 84.26 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.484 177.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -69.93 -47.14 63.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.629 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' MET . . . . . . . . . . . . . 84.4 mmm -62.55 -40.23 96.15 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 111.173 -179.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -68.79 -31.29 70.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.596 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.615 ' O ' ' HG2' ' B' ' 42' ' ' MET . 0.9 OUTLIER -66.63 -49.74 65.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.012 176.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.549 ' HG3' HG21 ' B' ' 77' ' ' VAL . 91.1 mtp -64.25 -28.47 69.75 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.173 0.511 . . . . 0.0 110.734 177.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.05 -43.14 97.74 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.239 177.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.615 ' HG2' ' O ' ' B' ' 39' ' ' ASP . 18.8 ptt? -71.41 -25.71 62.45 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' MET . . . . . 0.483 ' HB3' ' O ' ' B' ' 40' ' ' MET . 49.4 ttp -57.87 -48.96 78.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.046 0.45 . . . . 0.0 110.302 175.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.95 -40.04 95.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.772 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -63.53 -37.97 89.36 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.988 0.423 . . . . 0.0 110.609 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 43.2 t -56.77 -50.45 72.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.76 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 43' ' ' MET . 11.2 t -63.07 -38.61 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.7 -178.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.584 ' O ' ' HG3' ' B' ' 51' ' ' MET . 30.5 m-80 -73.3 -33.37 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.41 ' HA ' HE21 ' B' ' 52' ' ' GLN . 31.1 p -78.11 -45.92 22.12 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.783 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.417 ' HA ' ' HB2' ' B' ' 53' ' ' LYS . 17.7 mt-30 -72.13 -19.56 61.76 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.392 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . 0.584 ' HG3' ' O ' ' B' ' 48' ' ' ASN . 3.1 ppp? -69.13 -34.66 75.39 Favored 'General case' 0 C--N 1.334 -0.099 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.41 HE21 ' HA ' ' B' ' 49' ' ' SER . 44.4 mt-30 -76.24 -27.68 56.85 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.455 0.645 . . . . 0.0 109.639 176.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' B' ' 50' ' ' GLN . 38.4 mmtm -71.01 -11.05 60.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.201 174.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' MET . . . . . . . . . . . . . 75.7 mtm -115.07 -63.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.593 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 146.63 -177.04 25.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.177 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.12 -21.83 35.91 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.779 2.32 . . . . 0.0 112.501 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -130.78 72.67 81.75 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.247 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.476 ' HD2' ' HG3' ' B' ' 12' ' ' PRO . 36.0 Cg_exo -62.14 153.94 66.05 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.97 2.447 . . . . 0.0 113.386 -178.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.896 ' HG2' ' HG3' ' B' ' 62' ' ' ARG . 36.1 Cg_endo -67.01 126.79 15.74 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.935 2.423 . . . . 0.0 110.767 175.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.477 ' HG2' HD12 ' B' ' 63' ' ' LEU . 19.7 mt-30 -69.68 -17.57 63.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -171.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.811 ' O ' ' HG2' ' B' ' 64' ' ' ARG . 32.0 p80 -70.14 -34.07 72.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.749 173.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.896 ' HG3' ' HG2' ' B' ' 59' ' ' PRO . 6.3 mmm-85 -72.31 -28.38 63.05 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 174.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.477 HD12 ' HG2' ' B' ' 60' ' ' GLN . 94.2 mt -71.26 -33.75 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.848 176.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.811 ' HG2' ' O ' ' B' ' 61' ' ' HIS . 19.9 ptt180 -65.92 -35.74 81.46 Favored 'General case' 0 C--O 1.227 -0.113 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 177.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.11 -35.58 66.59 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.759 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.435 ' HG2' ' O ' ' B' ' 62' ' ' ARG . 91.4 mmm -66.98 -31.51 72.12 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 176.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -55.04 -55.74 27.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.404 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.453 HG22 ' HB1' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -61.6 -37.28 83.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.973 179.437 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.497 ' O ' ' HG3' ' B' ' 73' ' ' GLU . . . -59.97 -58.4 8.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.184 179.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' MET . . . . . . . . . . . . . 21.8 ttt -57.91 -46.34 85.11 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.929 0.395 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.96 97.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.226 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.468 ' HB1' HG22 ' A' ' 68' ' ' THR . . . -68.41 -33.45 74.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.386 -178.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' B' ' 69' ' ' ALA . 45.0 mt-10 -64.73 -49.0 72.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.517 0.199 . . . . 0.0 110.7 178.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.473 HG23 ' SD ' ' B' ' 43' ' ' MET . 47.7 t -59.02 -46.28 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.061 0.457 . . . . 0.0 110.586 175.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.23 98.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.911 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.674 ' HG2' ' HA ' ' A' ' 65' ' ' ALA . 18.1 tp10 -57.66 -49.27 77.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.89 176.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.549 HG21 ' HG3' ' B' ' 40' ' ' MET . 57.7 t -53.73 -55.4 13.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.813 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.461 ' HB ' HG21 ' B' ' 120' ' ' VAL . 54.7 t -63.87 -39.16 84.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.454 -177.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.78 -11.43 60.16 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -176.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 18.8 m -92.76 -11.63 33.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.009 0.433 . . . . 0.0 110.753 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 93.9 p -66.65 147.01 99.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.37 146.68 24.0 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.626 2.217 . . . . 0.0 111.829 177.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.96 -7.27 12.91 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.677 2.251 . . . . 0.0 112.42 -175.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -91.61 -15.63 28.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.908 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 10.8 p -125.45 0.87 7.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.603 -175.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -54.95 -47.46 74.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.342 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 2.0 p -64.67 -41.26 96.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.474 -177.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.2 86.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.871 0.367 . . . . 0.0 111.216 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.442 HG22 HG12 ' B' ' 31' ' ' VAL . 61.4 t -66.3 -45.49 89.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.331 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 tt -59.01 -45.2 91.26 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.832 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -59.25 -45.26 91.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.089 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 89.1 m -62.48 -51.93 65.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.77 -176.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' B' ' 93' ' ' ILE . 1.3 mm -62.97 -47.56 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.872 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.7 -45.27 90.94 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.861 -177.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.06 -31.37 67.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.886 0.374 . . . . 0.0 110.789 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' CYS . . . . . 0.411 ' SG ' HD23 ' B' ' 22' ' ' LEU . 53.4 t -72.04 -35.17 69.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.918 -179.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 1.044 ' HG ' ' HE1' ' B' ' 18' ' ' MET . 4.2 mp -56.41 -40.99 75.6 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.709 0.29 . . . . 0.0 111.429 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -62.93 -47.22 84.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.164 0.506 . . . . 0.0 109.982 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -67.54 -49.56 62.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.255 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 68.8 m -52.27 -36.56 53.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.14 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.42 ' HB3' ' HA ' ' B' ' 108' ' ' VAL . 14.6 mmt -69.62 -41.62 75.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.712 0.292 . . . . 0.0 110.907 178.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 49.4 tpp -64.52 -36.36 83.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.072 0.463 . . . . 0.0 110.55 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -80.38 -18.04 50.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.127 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.82 -59.58 2.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.351 -177.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.493 HG22 ' HB1' ' B' ' 14' ' ' ALA . 68.0 p -100.83 -43.27 6.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.015 0.436 . . . . 0.0 111.29 -175.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' GLY . . . . . . . . . . . . . . . 117.34 -6.98 16.49 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -173.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' SER . . . . . . . . . . . . . 50.6 m -134.43 134.51 41.68 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.42 ' HA ' ' HB3' ' B' ' 101' ' ' MET . 87.0 t -77.44 107.42 8.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.036 0.446 . . . . 0.0 111.116 -177.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -66.13 107.77 2.04 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.55 174.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -80.55 -26.89 37.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.752 -178.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.29 -45.9 85.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.632 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' PHE . . . . . 0.481 ' O ' HG23 ' B' ' 116' ' ' VAL . 84.5 t80 -69.42 -50.81 42.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.198 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . 0.669 ' HA ' HD23 ' B' ' 97' ' ' LEU . 16.7 m -55.54 -43.43 75.78 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.421 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . 0.449 ' O ' ' HG3' ' B' ' 118' ' ' GLN . 45.7 t30 -64.71 -47.04 79.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.741 178.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.07 -43.46 98.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 -175.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 112' ' ' PHE . 87.6 t -60.24 -39.62 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.891 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' MET . . . . . . . . . . . . . 28.9 mmt -66.5 -40.65 89.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.113 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' B' ' 114' ' ' ASN . 70.0 mt-30 -64.17 -45.34 88.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.293 177.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' B' ' 123' ' ' LEU . 33.3 mt -57.35 -53.1 61.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.367 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . 0.461 HG21 ' HB ' ' B' ' 78' ' ' VAL . 14.8 p -66.39 -33.2 61.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.841 0.353 . . . . 0.0 111.817 -174.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -76.52 -36.53 57.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.679 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' MET . . . . . 0.401 ' HE3' ' HB3' ' B' ' 122' ' ' MET . 11.8 tmm? -68.44 -39.24 81.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.868 0.366 . . . . 0.0 111.042 179.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 119' ' ' LEU . 95.1 mt -69.22 -8.98 50.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 6.2 t -128.5 21.75 6.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.505 0.669 . . . . 0.0 109.366 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' B' ' 127' ' ' SER . . . -90.18 117.81 29.22 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.916 -174.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -76.3 10.73 1.86 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.401 178.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . 0.409 ' H ' ' C ' ' B' ' 125' ' ' ALA . 26.0 m -110.08 83.02 1.69 Allowed 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.708 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.21 12.49 2.82 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.481 0.658 . . . . 0.0 109.723 176.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -85.46 157.82 20.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.914 -176.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -77.78 86.37 4.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.586 0.707 . . . . 0.0 111.074 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 30.8 m -88.94 6.88 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.646 178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 6.6 p -137.58 150.11 47.21 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.079 177.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 26.5 m . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.446 -176.823 . . . . . . . . 0 0 . 1 stop_ save_